N-[4-(2-methylpropyl)-2-[3-(phenylsulfonyl)piperazin-1-yl]phenyl]-1-phenyl-methanesulfonamide

Systemtic Name: N-[4-(2-methylpropyl)-2-[3-(phenylsulfonyl)piperazin-1-yl]phenyl]-1-phenyl-methanesulfonamide Openeye Name: N-[2-[3-(benzenesulfonyl)piperazin-1-yl]-4-isobutyl-phenyl]-1-phenyl-methanesulfonamide CAS Name: N-[2-[3-(benzenesulfonyl)-1-piperazinyl]-4-(2-methylpropyl)phenyl]-1-phenylmethanesulfonamide IUPAC Name: N-[2-[3-(benzenesulfonyl)piperazin-1-yl]-4-(2-methylpropyl)phenyl]-1-phenylmethanesulfonamide Traditional Name: N-[2-(3-besylpiperazino)-4-isobutyl-phenyl]-1-phenyl-methanesulfonamide Formula: C27H33N3O4S2 MolecularWeight: 527.69862

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=CC(=C(C=C1)NS(=O)(=O)CC2=CC=CC=C2)N3CCNC(C3)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CC(C)CC1=CC(=C(C=C1)NS(=O)(=O)CC2=CC=CC=C2)N3CCNC(C3)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C27H33N3O4S2/c1-21(2)17-23-13-14-25(29-35(31,32)20-22-9-5-3-6-10-22)26(18-23)30-16-15-28-27(19-30)36(33,34)24-11-7-4-8-12-24/h3-14,18,21,27-29H,15-17,19-20H2,1-2H3