methyl (2S)-2-[[azanyl-[methyl-[2-(4-methylpiperazin-1-yl)sulfonylphenyl]amino]methylidene]amino]-3-[4-[[3,5-bis(chloranyl)pyridin-4-yl]carbonylamino]phenyl]propanoate

Systemtic Name: methyl (2S)-2-[[azanyl-[methyl-[2-(4-methylpiperazin-1-yl)sulfonylphenyl]amino]methylidene]amino]-3-[4-[[3,5-bis(chloranyl)pyridin-4-yl]carbonylamino]phenyl]propanoate Openeye Name: methyl (2S)-2-[[amino-[N-methyl-2-(4-methylpiperazin-1-yl)sulfonyl-anilino]methylene]amino]-3-[4-[(3,5-dichloropyridine-4-carbonyl)amino]phenyl]propanoate CAS Name: (2S)-2-[[amino-[N-methyl-2-[(4-methyl-1-piperazinyl)sulfonyl]anilino]methylidene]amino]-3-[4-[[(3,5-dichloro-4-pyridinyl)-oxomethyl]amino]phenyl]propanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[amino-[N-methyl-2-(4-methylpiperazin-1-yl)sulfonylanilino]methylidene]amino]-3-[4-[(3,5-dichloropyridine-4-carbonyl)amino]phenyl]propanoate Traditional Name: (2S)-2-[[amino-[N-methyl-2-(4-methylpiperazino)sulfonyl-anilino]methylene]amino]-3-[4-[(3,5-dichloroisonicotinoyl)amino]phenyl]propionic acid methyl ester Formula: C29H33Cl2N7O5S MolecularWeight: 662.58722

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)S(=O)(=O)C2=CC=CC=C2N(C)C(=NC(CC3=CC=C(C=C3)NC(=O)C4=C(C=NC=C4Cl)Cl)C(=O)OC)N

Isomeric SMILES

CN1CCN(CC1)S(=O)(=O)C2=CC=CC=C2N(C)C(=N[C@@H](CC3=CC=C(C=C3)NC(=O)C4=C(C=NC=C4Cl)Cl)C(=O)OC)N

InChI

InChI=1S/C29H33Cl2N7O5S/c1-36-12-14-38(15-13-36)44(41,42)25-7-5-4-6-24(25)37(2)29(32)35-23(28(40)43-3)16-19-8-10-20(11-9-19)34-27(39)26-21(30)17-33-18-22(26)31/h4-11,17-18,23H,12-16H2,1-3H3,(H2,32,35)(H,34,39)/t23-/m0/s1