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

Systemtic Name: (4-chloranyl-3-pyrrolidin-1-ylsulfonyl-phenyl)-[4-(phenylmethyl)piperazin-1-yl]methanone hydrochloride Openeye Name: (4-benzylpiperazin-1-yl)-(4-chloro-3-pyrrolidin-1-ylsulfonyl-phenyl)methanone hydrochloride CAS Name: [4-chloro-3-(1-pyrrolidinylsulfonyl)phenyl]-[4-(phenylmethyl)-1-piperazinyl]methanone hydrochloride IUPAC Name: (4-benzylpiperazin-1-yl)-(4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)methanone hydrochloride Traditional Name: (4-benzylpiperazino)-(4-chloro-3-pyrrolidinosulfonyl-phenyl)methanone hydrochloride Formula: C22H27Cl2N3O3S MolecularWeight: 484.43908

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)N3CCN(CC3)CC4=CC=CC=C4)Cl.Cl

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)N3CCN(CC3)CC4=CC=CC=C4)Cl.Cl

InChI

InChI=1S/C22H26ClN3O3S.ClH/c23-20-9-8-19(16-21(20)30(28,29)26-10-4-5-11-26)22(27)25-14-12-24(13-15-25)17-18-6-2-1-3-7-18;/h1-3,6-9,16H,4-5,10-15,17H2;1H