N-[(S)-cyclopropyl-(4-methylphenyl)methyl]-3-(4-phenylpiperazin-1-yl)sulfonyl-benzamide

Systemtic Name: N-[(S)-cyclopropyl-(4-methylphenyl)methyl]-3-(4-phenylpiperazin-1-yl)sulfonyl-benzamide Openeye Name: N-[(S)-cyclopropyl(p-tolyl)methyl]-3-(4-phenylpiperazin-1-yl)sulfonyl-benzamide CAS Name: N-[(S)-cyclopropyl-(4-methylphenyl)methyl]-3-[(4-phenyl-1-piperazinyl)sulfonyl]benzamide IUPAC Name: N-[(S)-cyclopropyl-(4-methylphenyl)methyl]-3-(4-phenylpiperazin-1-yl)sulfonylbenzamide Traditional Name: N-[(S)-cyclopropyl(p-tolyl)methyl]-3-(4-phenylpiperazino)sulfonyl-benzamide Formula: C28H31N3O3S MolecularWeight: 489.62904

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C2CC2)NC(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCN(CC4)C5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)[C@H](C2CC2)NC(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCN(CC4)C5=CC=CC=C5

InChI

InChI=1S/C28H31N3O3S/c1-21-10-12-22(13-11-21)27(23-14-15-23)29-28(32)24-6-5-9-26(20-24)35(33,34)31-18-16-30(17-19-31)25-7-3-2-4-8-25/h2-13,20,23,27H,14-19H2,1H3,(H,29,32)/t27-/m1/s1