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

Systemtic Name: [4-(phenylmethyl)piperazin-1-yl]-(3-piperidin-1-ylsulfonylphenyl)methanone hydrochloride Openeye Name: (4-benzylpiperazin-1-yl)-[3-(1-piperidylsulfonyl)phenyl]methanone hydrochloride CAS Name: [4-(phenylmethyl)-1-piperazinyl]-[3-(1-piperidinylsulfonyl)phenyl]methanone hydrochloride IUPAC Name: (4-benzylpiperazin-1-yl)-(3-piperidin-1-ylsulfonylphenyl)methanone hydrochloride Traditional Name: (4-benzylpiperazino)-(3-piperidinosulfonylphenyl)methanone hydrochloride Formula: C23H30ClN3O3S MolecularWeight: 464.0206

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)N3CCN(CC3)CC4=CC=CC=C4.Cl

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)N3CCN(CC3)CC4=CC=CC=C4.Cl

InChI

InChI=1S/C23H29N3O3S.ClH/c27-23(25-16-14-24(15-17-25)19-20-8-3-1-4-9-20)21-10-7-11-22(18-21)30(28,29)26-12-5-2-6-13-26;/h1,3-4,7-11,18H,2,5-6,12-17,19H2;1H