[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(3-pyrrolidin-1-ylsulfonylphenyl)methanone hydrochloride

Systemtic Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(3-pyrrolidin-1-ylsulfonylphenyl)methanone hydrochloride Openeye Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(3-pyrrolidin-1-ylsulfonylphenyl)methanone hydrochloride CAS Name: [4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-[3-(1-pyrrolidinylsulfonyl)phenyl]methanone hydrochloride IUPAC Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(3-pyrrolidin-1-ylsulfonylphenyl)methanone hydrochloride Traditional Name: (4-piperonylpiperazino)-(3-pyrrolidinosulfonylphenyl)methanone hydrochloride Formula: C23H28ClN3O5S MolecularWeight: 494.00352

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5.Cl

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5.Cl

InChI

InChI=1S/C23H27N3O5S.ClH/c27-23(19-4-3-5-20(15-19)32(28,29)26-8-1-2-9-26)25-12-10-24(11-13-25)16-18-6-7-21-22(14-18)31-17-30-21;/h3-7,14-15H,1-2,8-13,16-17H2;1H