3-[(4-ethoxyphenyl)sulfonylamino]-4-(4-methylpiperazin-1-yl)benzoic acid

Systemtic Name: 3-[(4-ethoxyphenyl)sulfonylamino]-4-(4-methylpiperazin-1-yl)benzoic acid Openeye Name: 3-[(4-ethoxyphenyl)sulfonylamino]-4-(4-methylpiperazin-1-yl)benzoic acid CAS Name: 3-[(4-ethoxyphenyl)sulfonylamino]-4-(4-methyl-1-piperazinyl)benzoic acid IUPAC Name: 3-[(4-ethoxyphenyl)sulfonylamino]-4-(4-methylpiperazin-1-yl)benzoic acid Traditional Name: 4-(4-methylpiperazino)-3-(p-phenetylsulfonylamino)benzoic acid Formula: C20H25N3O5S MolecularWeight: 419.4946

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)S(=O)(=O)NC2=C(C=CC(=C2)C(=O)O)N3CCN(CC3)C

Isomeric SMILES

CCOC1=CC=C(C=C1)S(=O)(=O)NC2=C(C=CC(=C2)C(=O)O)N3CCN(CC3)C

InChI

InChI=1S/C20H25N3O5S/c1-3-28-16-5-7-17(8-6-16)29(26,27)21-18-14-15(20(24)25)4-9-19(18)23-12-10-22(2)11-13-23/h4-9,14,21H,3,10-13H2,1-2H3,(H,24,25)