4-(4-methylpiperazin-1-yl)-3-pyrrolidin-1-ylsulfonyl-benzoic acid hydrochloride

Systemtic Name: 4-(4-methylpiperazin-1-yl)-3-pyrrolidin-1-ylsulfonyl-benzoic acid hydrochloride Openeye Name: 4-(4-methylpiperazin-1-yl)-3-pyrrolidin-1-ylsulfonyl-benzoic acid hydrochloride CAS Name: 4-(4-methyl-1-piperazinyl)-3-(1-pyrrolidinylsulfonyl)benzoic acid hydrochloride IUPAC Name: 4-(4-methylpiperazin-1-yl)-3-pyrrolidin-1-ylsulfonylbenzoic acid hydrochloride Traditional Name: 4-(4-methylpiperazino)-3-pyrrolidinosulfonyl-benzoic acid hydrochloride Formula: C16H24ClN3O4S MolecularWeight: 389.89746

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=C(C=C(C=C2)C(=O)O)S(=O)(=O)N3CCCC3.Cl

Isomeric SMILES

CN1CCN(CC1)C2=C(C=C(C=C2)C(=O)O)S(=O)(=O)N3CCCC3.Cl

InChI

InChI=1S/C16H23N3O4S.ClH/c1-17-8-10-18(11-9-17)14-5-4-13(16(20)21)12-15(14)24(22,23)19-6-2-3-7-19;/h4-5,12H,2-3,6-11H2,1H3,(H,20,21);1H