3-(ethylsulfonylamino)-4-(4-methylpiperazin-1-yl)benzoic acid

Systemtic Name: 3-(ethylsulfonylamino)-4-(4-methylpiperazin-1-yl)benzoic acid Openeye Name: 3-(ethylsulfonylamino)-4-(4-methylpiperazin-1-yl)benzoic acid CAS Name: 3-(ethylsulfonylamino)-4-(4-methyl-1-piperazinyl)benzoic acid IUPAC Name: 3-(ethylsulfonylamino)-4-(4-methylpiperazin-1-yl)benzoic acid Traditional Name: 3-(esylamino)-4-(4-methylpiperazino)benzoic acid Formula: C14H21N3O4S MolecularWeight: 327.39924

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)NC1=C(C=CC(=C1)C(=O)O)N2CCN(CC2)C

Isomeric SMILES

CCS(=O)(=O)NC1=C(C=CC(=C1)C(=O)O)N2CCN(CC2)C

InChI

InChI=1S/C14H21N3O4S/c1-3-22(20,21)15-12-10-11(14(18)19)4-5-13(12)17-8-6-16(2)7-9-17/h4-5,10,15H,3,6-9H2,1-2H3,(H,18,19)