N-(4-methylphenyl)-3-(3-oxidanylidenepiperazin-1-yl)sulfonyl-N-(phenylmethyl)benzamide

Systemtic Name: N-(4-methylphenyl)-3-(3-oxidanylidenepiperazin-1-yl)sulfonyl-N-(phenylmethyl)benzamide Openeye Name: N-benzyl-3-(3-oxopiperazin-1-yl)sulfonyl-N-(p-tolyl)benzamide CAS Name: N-(4-methylphenyl)-3-[(3-oxo-1-piperazinyl)sulfonyl]-N-(phenylmethyl)benzamide IUPAC Name: N-benzyl-N-(4-methylphenyl)-3-(3-oxopiperazin-1-yl)sulfonylbenzamide Traditional Name: N-benzyl-3-(3-ketopiperazino)sulfonyl-N-(p-tolyl)benzamide Formula: C25H25N3O4S MolecularWeight: 463.5487

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N(CC2=CC=CC=C2)C(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCNC(=O)C4

Isomeric SMILES

CC1=CC=C(C=C1)N(CC2=CC=CC=C2)C(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCNC(=O)C4

InChI

InChI=1S/C25H25N3O4S/c1-19-10-12-22(13-11-19)28(17-20-6-3-2-4-7-20)25(30)21-8-5-9-23(16-21)33(31,32)27-15-14-26-24(29)18-27/h2-13,16H,14-15,17-18H2,1H3,(H,26,29)