N-(1-azanyl-1-oxidanylidene-propan-2-yl)-2-[(4-methylpiperazin-1-yl)sulfonylmethyl]-3-phenyl-propanamide

Systemtic Name: N-(1-azanyl-1-oxidanylidene-propan-2-yl)-2-[(4-methylpiperazin-1-yl)sulfonylmethyl]-3-phenyl-propanamide Openeye Name: N-(2-amino-1-methyl-2-oxo-ethyl)-2-benzyl-3-(4-methylpiperazin-1-yl)sulfonyl-propanamide CAS Name: N-(1-amino-1-oxopropan-2-yl)-2-[(4-methyl-1-piperazinyl)sulfonylmethyl]-3-phenylpropanamide IUPAC Name: N-(1-amino-1-oxopropan-2-yl)-2-benzyl-3-(4-methylpiperazin-1-yl)sulfonylpropanamide Traditional Name: N-(2-amino-2-keto-1-methyl-ethyl)-2-benzyl-3-(4-methylpiperazino)sulfonyl-propionamide Formula: C18H28N4O4S MolecularWeight: 396.50432

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H28N4O4S/c1-14(17(19)23)20-18(24)16(12-15-6-4-3-5-7-15)13-27(25,26)22-10-8-21(2)9-11-22/h3-7,14,16H,8-13H2,1-2H3,(H2,19,23)(H,20,24)