3-[(2,4-dimethylphenyl)sulfonylamino]-4-[4-(3-methoxyphenyl)piperazin-1-yl]benzoic acid

Systemtic Name: 3-[(2,4-dimethylphenyl)sulfonylamino]-4-[4-(3-methoxyphenyl)piperazin-1-yl]benzoic acid Openeye Name: 3-[(2,4-dimethylphenyl)sulfonylamino]-4-[4-(3-methoxyphenyl)piperazin-1-yl]benzoic acid CAS Name: 3-[(2,4-dimethylphenyl)sulfonylamino]-4-[4-(3-methoxyphenyl)-1-piperazinyl]benzoic acid IUPAC Name: 3-[(2,4-dimethylphenyl)sulfonylamino]-4-[4-(3-methoxyphenyl)piperazin-1-yl]benzoic acid Traditional Name: 3-[(2,4-dimethylphenyl)sulfonylamino]-4-[4-(3-methoxyphenyl)piperazino]benzoic acid Formula: C26H29N3O5S MolecularWeight: 495.59056

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)S(=O)(=O)NC2=C(C=CC(=C2)C(=O)O)N3CCN(CC3)C4=CC(=CC=C4)OC)C

Isomeric SMILES

CC1=CC(=C(C=C1)S(=O)(=O)NC2=C(C=CC(=C2)C(=O)O)N3CCN(CC3)C4=CC(=CC=C4)OC)C

InChI

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