[1-(3,4-dimethoxyphenyl)sulfonyl-4-phenoxy-pyrrolidin-2-yl]-[4-(diphenylmethyl)piperazin-1-yl]methanone

Systemtic Name: [1-(3,4-dimethoxyphenyl)sulfonyl-4-phenoxy-pyrrolidin-2-yl]-[4-(diphenylmethyl)piperazin-1-yl]methanone Openeye Name: (4-benzhydrylpiperazin-1-yl)-[1-(3,4-dimethoxyphenyl)sulfonyl-4-phenoxy-pyrrolidin-2-yl]methanone CAS Name: [1-(3,4-dimethoxyphenyl)sulfonyl-4-phenoxy-2-pyrrolidinyl]-[4-(diphenylmethyl)-1-piperazinyl]methanone IUPAC Name: (4-benzhydrylpiperazin-1-yl)-[1-(3,4-dimethoxyphenyl)sulfonyl-4-phenoxypyrrolidin-2-yl]methanone Traditional Name: (4-benzhydrylpiperazino)-[1-(3,4-dimethoxyphenyl)sulfonyl-4-phenoxy-pyrrolidin-2-yl]methanone Formula: C36H39N3O6S MolecularWeight: 641.77636

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CC(CC2C(=O)N3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5)OC6=CC=CC=C6)OC

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CC(CC2C(=O)N3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5)OC6=CC=CC=C6)OC

InChI

InChI=1S/C36H39N3O6S/c1-43-33-19-18-31(25-34(33)44-2)46(41,42)39-26-30(45-29-16-10-5-11-17-29)24-32(39)36(40)38-22-20-37(21-23-38)35(27-12-6-3-7-13-27)28-14-8-4-9-15-28/h3-19,25,30,32,35H,20-24,26H2,1-2H3