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

Systemtic Name: (4-chloranyl-3-pyrrolidin-1-ylsulfonyl-phenyl)-[4-(diphenylmethyl)piperazin-1-yl]methanone hydrochloride Openeye Name: (4-benzhydrylpiperazin-1-yl)-(4-chloro-3-pyrrolidin-1-ylsulfonyl-phenyl)methanone hydrochloride CAS Name: [4-chloro-3-(1-pyrrolidinylsulfonyl)phenyl]-[4-(diphenylmethyl)-1-piperazinyl]methanone hydrochloride IUPAC Name: (4-benzhydrylpiperazin-1-yl)-(4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)methanone hydrochloride Traditional Name: (4-benzhydrylpiperazino)-(4-chloro-3-pyrrolidinosulfonyl-phenyl)methanone hydrochloride Formula: C28H31Cl2N3O3S MolecularWeight: 560.53504

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)N3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5)Cl.Cl

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)N3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5)Cl.Cl

InChI

InChI=1S/C28H30ClN3O3S.ClH/c29-25-14-13-24(21-26(25)36(34,35)32-15-7-8-16-32)28(33)31-19-17-30(18-20-31)27(22-9-3-1-4-10-22)23-11-5-2-6-12-23;/h1-6,9-14,21,27H,7-8,15-20H2;1H