1-phenyl-N-[2-[3-(phenylmethyl)piperazin-1-yl]-4-propan-2-ylsulfonyl-phenyl]methanesulfonamide

Systemtic Name: 1-phenyl-N-[2-[3-(phenylmethyl)piperazin-1-yl]-4-propan-2-ylsulfonyl-phenyl]methanesulfonamide Openeye Name: N-[2-(3-benzylpiperazin-1-yl)-4-isopropylsulfonyl-phenyl]-1-phenyl-methanesulfonamide CAS Name: 1-phenyl-N-[2-[3-(phenylmethyl)-1-piperazinyl]-4-propan-2-ylsulfonylphenyl]methanesulfonamide IUPAC Name: N-[2-(3-benzylpiperazin-1-yl)-4-propan-2-ylsulfonylphenyl]-1-phenylmethanesulfonamide Traditional Name: N-[2-(3-benzylpiperazino)-4-isopropylsulfonyl-phenyl]-1-phenyl-methanesulfonamide Formula: C27H33N3O4S2 MolecularWeight: 527.69862

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)C1=CC(=C(C=C1)NS(=O)(=O)CC2=CC=CC=C2)N3CCNC(C3)CC4=CC=CC=C4

Isomeric SMILES

CC(C)S(=O)(=O)C1=CC(=C(C=C1)NS(=O)(=O)CC2=CC=CC=C2)N3CCNC(C3)CC4=CC=CC=C4

InChI

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