N-[(3-chlorophenyl)methyl]-4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-4-oxidanylidene-butanamide

Systemtic Name: N-[(3-chlorophenyl)methyl]-4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-4-oxidanylidene-butanamide Openeye Name: N-[(3-chlorophenyl)methyl]-4-oxo-4-[4-(p-tolylsulfonyl)piperazin-1-yl]butanamide CAS Name: N-[(3-chlorophenyl)methyl]-4-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]-4-oxobutanamide IUPAC Name: N-[(3-chlorophenyl)methyl]-4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-4-oxobutanamide Traditional Name: N-(3-chlorobenzyl)-4-keto-4-(4-tosylpiperazino)butyramide Formula: C22H26ClN3O4S MolecularWeight: 463.97754

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CCC(=O)NCC3=CC(=CC=C3)Cl

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CCC(=O)NCC3=CC(=CC=C3)Cl

InChI

InChI=1S/C22H26ClN3O4S/c1-17-5-7-20(8-6-17)31(29,30)26-13-11-25(12-14-26)22(28)10-9-21(27)24-16-18-3-2-4-19(23)15-18/h2-8,15H,9-14,16H2,1H3,(H,24,27)