[4-(phenylmethyl)piperazin-1-yl]-(3-pyrrolidin-1-ylsulfonylphenyl)methanone hydrochloride

Systemtic Name: [4-(phenylmethyl)piperazin-1-yl]-(3-pyrrolidin-1-ylsulfonylphenyl)methanone hydrochloride Openeye Name: (4-benzylpiperazin-1-yl)-(3-pyrrolidin-1-ylsulfonylphenyl)methanone hydrochloride CAS Name: [4-(phenylmethyl)-1-piperazinyl]-[3-(1-pyrrolidinylsulfonyl)phenyl]methanone hydrochloride IUPAC Name: (4-benzylpiperazin-1-yl)-(3-pyrrolidin-1-ylsulfonylphenyl)methanone hydrochloride Traditional Name: (4-benzylpiperazino)-(3-pyrrolidinosulfonylphenyl)methanone hydrochloride Formula: C22H28ClN3O3S MolecularWeight: 449.99402

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N3O3S.ClH/c26-22(24-15-13-23(14-16-24)18-19-7-2-1-3-8-19)20-9-6-10-21(17-20)29(27,28)25-11-4-5-12-25;/h1-3,6-10,17H,4-5,11-16,18H2;1H