4-methyl-2-[[2-[(4-methylpiperazin-1-yl)sulfonylmethyl]-3-phenyl-propanoyl]amino]pentanamide

Systemtic Name: 4-methyl-2-[[2-[(4-methylpiperazin-1-yl)sulfonylmethyl]-3-phenyl-propanoyl]amino]pentanamide Openeye Name: 2-[[2-benzyl-3-(4-methylpiperazin-1-yl)sulfonyl-propanoyl]amino]-4-methyl-pentanamide CAS Name: 4-methyl-2-[[2-[(4-methyl-1-piperazinyl)sulfonylmethyl]-1-oxo-3-phenylpropyl]amino]pentanamide IUPAC Name: 2-[[2-benzyl-3-(4-methylpiperazin-1-yl)sulfonylpropanoyl]amino]-4-methylpentanamide Traditional Name: 2-[[2-benzyl-3-(4-methylpiperazino)sulfonyl-propanoyl]amino]-4-methyl-valeramide Formula: C21H34N4O4S MolecularWeight: 438.58406

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)N)NC(=O)C(CC1=CC=CC=C1)CS(=O)(=O)N2CCN(CC2)C

Isomeric SMILES

CC(C)CC(C(=O)N)NC(=O)C(CC1=CC=CC=C1)CS(=O)(=O)N2CCN(CC2)C

InChI

InChI=1S/C21H34N4O4S/c1-16(2)13-19(20(22)26)23-21(27)18(14-17-7-5-4-6-8-17)15-30(28,29)25-11-9-24(3)10-12-25/h4-8,16,18-19H,9-15H2,1-3H3,(H2,22,26)(H,23,27)