4-(4-cyclohexylpiperazin-1-yl)-3-(phenylsulfonylamino)benzoic acid

Systemtic Name: 4-(4-cyclohexylpiperazin-1-yl)-3-(phenylsulfonylamino)benzoic acid Openeye Name: 3-(benzenesulfonamido)-4-(4-cyclohexylpiperazin-1-yl)benzoic acid CAS Name: 3-(benzenesulfonamido)-4-(4-cyclohexyl-1-piperazinyl)benzoic acid IUPAC Name: 3-(benzenesulfonamido)-4-(4-cyclohexylpiperazin-1-yl)benzoic acid Traditional Name: 3-(benzenesulfonamido)-4-(4-cyclohexylpiperazino)benzoic acid Formula: C23H29N3O4S MolecularWeight: 443.55906

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2CCN(CC2)C3=C(C=C(C=C3)C(=O)O)NS(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C1CCC(CC1)N2CCN(CC2)C3=C(C=C(C=C3)C(=O)O)NS(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C23H29N3O4S/c27-23(28)18-11-12-22(21(17-18)24-31(29,30)20-9-5-2-6-10-20)26-15-13-25(14-16-26)19-7-3-1-4-8-19/h2,5-6,9-12,17,19,24H,1,3-4,7-8,13-16H2,(H,27,28)