3-[(4-ethylphenyl)sulfonylamino]-4-[4-(3-methoxyphenyl)piperazin-1-yl]benzoic acid

Systemtic Name: 3-[(4-ethylphenyl)sulfonylamino]-4-[4-(3-methoxyphenyl)piperazin-1-yl]benzoic acid Openeye Name: 3-[(4-ethylphenyl)sulfonylamino]-4-[4-(3-methoxyphenyl)piperazin-1-yl]benzoic acid CAS Name: 3-[(4-ethylphenyl)sulfonylamino]-4-[4-(3-methoxyphenyl)-1-piperazinyl]benzoic acid IUPAC Name: 3-[(4-ethylphenyl)sulfonylamino]-4-[4-(3-methoxyphenyl)piperazin-1-yl]benzoic acid Traditional Name: 3-[(4-ethylphenyl)sulfonylamino]-4-[4-(3-methoxyphenyl)piperazino]benzoic acid Formula: C26H29N3O5S MolecularWeight: 495.59056

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)S(=O)(=O)NC2=C(C=CC(=C2)C(=O)O)N3CCN(CC3)C4=CC(=CC=C4)OC

Isomeric SMILES

CCC1=CC=C(C=C1)S(=O)(=O)NC2=C(C=CC(=C2)C(=O)O)N3CCN(CC3)C4=CC(=CC=C4)OC

InChI

InChI=1S/C26H29N3O5S/c1-3-19-7-10-23(11-8-19)35(32,33)27-24-17-20(26(30)31)9-12-25(24)29-15-13-28(14-16-29)21-5-4-6-22(18-21)34-2/h4-12,17-18,27H,3,13-16H2,1-2H3,(H,30,31)