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

Systemtic Name: 3-[(4-ethoxyphenyl)sulfonylamino]-4-(4-ethylpiperazin-1-yl)benzoic acid Openeye Name: 3-[(4-ethoxyphenyl)sulfonylamino]-4-(4-ethylpiperazin-1-yl)benzoic acid CAS Name: 3-[(4-ethoxyphenyl)sulfonylamino]-4-(4-ethyl-1-piperazinyl)benzoic acid IUPAC Name: 3-[(4-ethoxyphenyl)sulfonylamino]-4-(4-ethylpiperazin-1-yl)benzoic acid Traditional Name: 4-(4-ethylpiperazino)-3-(p-phenetylsulfonylamino)benzoic acid Formula: C21H27N3O5S MolecularWeight: 433.52118

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=C(C=C(C=C2)C(=O)O)NS(=O)(=O)C3=CC=C(C=C3)OCC

Isomeric SMILES

CCN1CCN(CC1)C2=C(C=C(C=C2)C(=O)O)NS(=O)(=O)C3=CC=C(C=C3)OCC

InChI

InChI=1S/C21H27N3O5S/c1-3-23-11-13-24(14-12-23)20-10-5-16(21(25)26)15-19(20)22-30(27,28)18-8-6-17(7-9-18)29-4-2/h5-10,15,22H,3-4,11-14H2,1-2H3,(H,25,26)