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

Systemtic Name: 4-(4-methylpiperazin-1-yl)-3-piperidin-1-ylsulfonyl-benzoic acid hydrochloride Openeye Name: 4-(4-methylpiperazin-1-yl)-3-(1-piperidylsulfonyl)benzoic acid hydrochloride CAS Name: 4-(4-methyl-1-piperazinyl)-3-(1-piperidinylsulfonyl)benzoic acid hydrochloride IUPAC Name: 4-(4-methylpiperazin-1-yl)-3-piperidin-1-ylsulfonylbenzoic acid hydrochloride Traditional Name: 4-(4-methylpiperazino)-3-piperidinosulfonyl-benzoic acid hydrochloride Formula: C17H26ClN3O4S MolecularWeight: 403.92404

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=C(C=C(C=C2)C(=O)O)S(=O)(=O)N3CCCCC3.Cl

Isomeric SMILES

CN1CCN(CC1)C2=C(C=C(C=C2)C(=O)O)S(=O)(=O)N3CCCCC3.Cl

InChI

InChI=1S/C17H25N3O4S.ClH/c1-18-9-11-19(12-10-18)15-6-5-14(17(21)22)13-16(15)25(23,24)20-7-3-2-4-8-20;/h5-6,13H,2-4,7-12H2,1H3,(H,21,22);1H