[4-(diphenylmethyl)piperazin-1-yl]-(4-methyl-3-pyrrolidin-1-ylsulfonyl-phenyl)methanone

Systemtic Name: [4-(diphenylmethyl)piperazin-1-yl]-(4-methyl-3-pyrrolidin-1-ylsulfonyl-phenyl)methanone Openeye Name: (4-benzhydrylpiperazin-1-yl)-(4-methyl-3-pyrrolidin-1-ylsulfonyl-phenyl)methanone CAS Name: [4-(diphenylmethyl)-1-piperazinyl]-[4-methyl-3-(1-pyrrolidinylsulfonyl)phenyl]methanone IUPAC Name: (4-benzhydrylpiperazin-1-yl)-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)methanone Traditional Name: (4-benzhydrylpiperazino)-(4-methyl-3-pyrrolidinosulfonyl-phenyl)methanone Formula: C29H33N3O3S MolecularWeight: 503.65562

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)N2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)S(=O)(=O)N5CCCC5

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)N2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)S(=O)(=O)N5CCCC5

InChI

InChI=1S/C29H33N3O3S/c1-23-14-15-26(22-27(23)36(34,35)32-16-8-9-17-32)29(33)31-20-18-30(19-21-31)28(24-10-4-2-5-11-24)25-12-6-3-7-13-25/h2-7,10-15,22,28H,8-9,16-21H2,1H3