2-[[2-[(4-methylpiperazin-1-yl)sulfonylmethyl]-3-phenyl-propanoyl]amino]-4-methylsulfanyl-butanamide

Systemtic Name: 2-[[2-[(4-methylpiperazin-1-yl)sulfonylmethyl]-3-phenyl-propanoyl]amino]-4-methylsulfanyl-butanamide Openeye Name: 2-[[2-benzyl-3-(4-methylpiperazin-1-yl)sulfonyl-propanoyl]amino]-4-methylsulfanyl-butanamide CAS Name: 2-[[2-[(4-methyl-1-piperazinyl)sulfonylmethyl]-1-oxo-3-phenylpropyl]amino]-4-(methylthio)butanamide IUPAC Name: 2-[[2-benzyl-3-(4-methylpiperazin-1-yl)sulfonylpropanoyl]amino]-4-methylsulfanylbutanamide Traditional Name: 2-[[2-benzyl-3-(4-methylpiperazino)sulfonyl-propanoyl]amino]-4-(methylthio)butyramide Formula: C20H32N4O4S2 MolecularWeight: 456.62248

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)S(=O)(=O)CC(CC2=CC=CC=C2)C(=O)NC(CCSC)C(=O)N

Isomeric SMILES

CN1CCN(CC1)S(=O)(=O)CC(CC2=CC=CC=C2)C(=O)NC(CCSC)C(=O)N

InChI

InChI=1S/C20H32N4O4S2/c1-23-9-11-24(12-10-23)30(27,28)15-17(14-16-6-4-3-5-7-16)20(26)22-18(19(21)25)8-13-29-2/h3-7,17-18H,8-15H2,1-2H3,(H2,21,25)(H,22,26)