methyl 4-[[[3-(4-methylpiperazin-1-yl)sulfonylphenyl]carbonylamino]methyl]benzoate

Systemtic Name: methyl 4-[[[3-(4-methylpiperazin-1-yl)sulfonylphenyl]carbonylamino]methyl]benzoate Openeye Name: methyl 4-[[[3-(4-methylpiperazin-1-yl)sulfonylbenzoyl]amino]methyl]benzoate CAS Name: 4-[[[[3-[(4-methyl-1-piperazinyl)sulfonyl]phenyl]-oxomethyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[[3-(4-methylpiperazin-1-yl)sulfonylbenzoyl]amino]methyl]benzoate Traditional Name: 4-[[[3-(4-methylpiperazino)sulfonylbenzoyl]amino]methyl]benzoic acid methyl ester Formula: C21H25N3O5S MolecularWeight: 431.5053

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NCC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CN1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NCC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C21H25N3O5S/c1-23-10-12-24(13-11-23)30(27,28)19-5-3-4-18(14-19)20(25)22-15-16-6-8-17(9-7-16)21(26)29-2/h3-9,14H,10-13,15H2,1-2H3,(H,22,25)