1-[2,5-dimethyl-1-(phenylsulfonyl)pyrrol-3-yl]sulfonyl-4-(diphenylmethyl)piperazine

Systemtic Name: 1-[2,5-dimethyl-1-(phenylsulfonyl)pyrrol-3-yl]sulfonyl-4-(diphenylmethyl)piperazine Openeye Name: 1-[1-(benzenesulfonyl)-2,5-dimethyl-pyrrol-3-yl]sulfonyl-4-benzhydryl-piperazine CAS Name: 1-[[1-(benzenesulfonyl)-2,5-dimethyl-3-pyrrolyl]sulfonyl]-4-(diphenylmethyl)piperazine IUPAC Name: 1-[1-(benzenesulfonyl)-2,5-dimethylpyrrol-3-yl]sulfonyl-4-benzhydrylpiperazine Traditional Name: 1-benzhydryl-4-(1-besyl-2,5-dimethyl-pyrrol-3-yl)sulfonyl-piperazine Formula: C29H31N3O4S2 MolecularWeight: 549.70414

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1S(=O)(=O)C2=CC=CC=C2)C)S(=O)(=O)N3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CC1=CC(=C(N1S(=O)(=O)C2=CC=CC=C2)C)S(=O)(=O)N3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C29H31N3O4S2/c1-23-22-28(24(2)32(23)37(33,34)27-16-10-5-11-17-27)38(35,36)31-20-18-30(19-21-31)29(25-12-6-3-7-13-25)26-14-8-4-9-15-26/h3-17,22,29H,18-21H2,1-2H3