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

Systemtic Name: 4-(4-methylpiperazin-1-yl)-3-pyrrolidin-1-ylsulfonyl-benzoic acid Openeye Name: 4-(4-methylpiperazin-1-yl)-3-pyrrolidin-1-ylsulfonyl-benzoic acid CAS Name: 4-(4-methyl-1-piperazinyl)-3-(1-pyrrolidinylsulfonyl)benzoic acid IUPAC Name: 4-(4-methylpiperazin-1-yl)-3-pyrrolidin-1-ylsulfonylbenzoic acid Traditional Name: 4-(4-methylpiperazino)-3-pyrrolidinosulfonyl-benzoic acid Formula: C16H23N3O4S MolecularWeight: 353.43652

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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

Isomeric SMILES

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

InChI

InChI=1S/C16H23N3O4S/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)