N-[4-[4-(3-methylphenyl)carbonylpiperazin-1-yl]phenyl]-2-(4-methylphenyl)sulfonyl-ethanamide

Systemtic Name: N-[4-[4-(3-methylphenyl)carbonylpiperazin-1-yl]phenyl]-2-(4-methylphenyl)sulfonyl-ethanamide Openeye Name: N-[4-[4-(3-methylbenzoyl)piperazin-1-yl]phenyl]-2-(p-tolylsulfonyl)acetamide CAS Name: N-[4-[4-[(3-methylphenyl)-oxomethyl]-1-piperazinyl]phenyl]-2-(4-methylphenyl)sulfonylacetamide IUPAC Name: N-[4-[4-(3-methylbenzoyl)piperazin-1-yl]phenyl]-2-(4-methylphenyl)sulfonylacetamide Traditional Name: N-[4-(4-m-toluoylpiperazino)phenyl]-2-tosyl-acetamide Formula: C27H29N3O4S MolecularWeight: 491.60186

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CC(=O)NC2=CC=C(C=C2)N3CCN(CC3)C(=O)C4=CC(=CC=C4)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CC(=O)NC2=CC=C(C=C2)N3CCN(CC3)C(=O)C4=CC(=CC=C4)C

InChI

InChI=1S/C27H29N3O4S/c1-20-6-12-25(13-7-20)35(33,34)19-26(31)28-23-8-10-24(11-9-23)29-14-16-30(17-15-29)27(32)22-5-3-4-21(2)18-22/h3-13,18H,14-17,19H2,1-2H3,(H,28,31)