[4-(phenylmethyl)piperazin-1-yl]-(1-thiophen-2-ylsulfonylpiperidin-4-yl)methanone hydrochloride

Systemtic Name: [4-(phenylmethyl)piperazin-1-yl]-(1-thiophen-2-ylsulfonylpiperidin-4-yl)methanone hydrochloride Openeye Name: (4-benzylpiperazin-1-yl)-[1-(2-thienylsulfonyl)-4-piperidyl]methanone hydrochloride CAS Name: [4-(phenylmethyl)-1-piperazinyl]-(1-thiophen-2-ylsulfonyl-4-piperidinyl)methanone hydrochloride IUPAC Name: (4-benzylpiperazin-1-yl)-(1-thiophen-2-ylsulfonylpiperidin-4-yl)methanone hydrochloride Traditional Name: (4-benzylpiperazino)-[1-(2-thienylsulfonyl)-4-piperidyl]methanone hydrochloride Formula: C21H28ClN3O3S2 MolecularWeight: 470.04832

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)N2CCN(CC2)CC3=CC=CC=C3)S(=O)(=O)C4=CC=CS4.Cl

Isomeric SMILES

C1CN(CCC1C(=O)N2CCN(CC2)CC3=CC=CC=C3)S(=O)(=O)C4=CC=CS4.Cl

InChI

InChI=1S/C21H27N3O3S2.ClH/c25-21(23-14-12-22(13-15-23)17-18-5-2-1-3-6-18)19-8-10-24(11-9-19)29(26,27)20-7-4-16-28-20;/h1-7,16,19H,8-15,17H2;1H