[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(4-methyl-3-piperidin-1-ylsulfonyl-phenyl)methanone hydrochloride

Systemtic Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(4-methyl-3-piperidin-1-ylsulfonyl-phenyl)methanone hydrochloride Openeye Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[4-methyl-3-(1-piperidylsulfonyl)phenyl]methanone hydrochloride CAS Name: [4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-[4-methyl-3-(1-piperidinylsulfonyl)phenyl]methanone hydrochloride IUPAC Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(4-methyl-3-piperidin-1-ylsulfonylphenyl)methanone hydrochloride Traditional Name: (4-methyl-3-piperidinosulfonyl-phenyl)-(4-piperonylpiperazino)methanone hydrochloride Formula: C25H32ClN3O5S MolecularWeight: 522.05668

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4)S(=O)(=O)N5CCCCC5.Cl

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4)S(=O)(=O)N5CCCCC5.Cl

InChI

InChI=1S/C25H31N3O5S.ClH/c1-19-5-7-21(16-24(19)34(30,31)28-9-3-2-4-10-28)25(29)27-13-11-26(12-14-27)17-20-6-8-22-23(15-20)33-18-32-22;/h5-8,15-16H,2-4,9-14,17-18H2,1H3;1H