(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-[4-(piperidin-1-ylmethyl)phenyl]methanone hydrochloride

Systemtic Name: (4-naphthalen-2-ylsulfonylpiperazin-1-yl)-[4-(piperidin-1-ylmethyl)phenyl]methanone hydrochloride Openeye Name: [4-(2-naphthylsulfonyl)piperazin-1-yl]-[4-(1-piperidylmethyl)phenyl]methanone hydrochloride CAS Name: [4-(2-naphthalenylsulfonyl)-1-piperazinyl]-[4-(1-piperidinylmethyl)phenyl]methanone hydrochloride IUPAC Name: (4-naphthalen-2-ylsulfonylpiperazin-1-yl)-[4-(piperidin-1-ylmethyl)phenyl]methanone hydrochloride Traditional Name: [4-(2-naphthylsulfonyl)piperazino]-[4-(piperidinomethyl)phenyl]methanone hydrochloride Formula: C27H32ClN3O3S MolecularWeight: 514.07928

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CC2=CC=C(C=C2)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC5=CC=CC=C5C=C4.Cl

Isomeric SMILES

C1CCN(CC1)CC2=CC=C(C=C2)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC5=CC=CC=C5C=C4.Cl

InChI

InChI=1S/C27H31N3O3S.ClH/c31-27(24-10-8-22(9-11-24)21-28-14-4-1-5-15-28)29-16-18-30(19-17-29)34(32,33)26-13-12-23-6-2-3-7-25(23)20-26;/h2-3,6-13,20H,1,4-5,14-19,21H2;1H