4-[[(2-aminocarbonylcyclohexyl)-(4-chlorophenyl)sulfonyl-amino]methyl]benzoic acid

Systemtic Name: 4-[[(2-aminocarbonylcyclohexyl)-(4-chlorophenyl)sulfonyl-amino]methyl]benzoic acid Openeye Name: 4-[[(2-carbamoylcyclohexyl)-(4-chlorophenyl)sulfonyl-amino]methyl]benzoic acid CAS Name: 4-[[(2-carbamoylcyclohexyl)-(4-chlorophenyl)sulfonylamino]methyl]benzoic acid IUPAC Name: 4-[[(2-carbamoylcyclohexyl)-(4-chlorophenyl)sulfonylamino]methyl]benzoic acid Traditional Name: 4-[[(2-carbamoylcyclohexyl)-(4-chlorophenyl)sulfonyl-amino]methyl]benzoic acid Formula: C21H23ClN2O5S MolecularWeight: 450.93572

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)C(=O)N)N(CC2=CC=C(C=C2)C(=O)O)S(=O)(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

C1CCC(C(C1)C(=O)N)N(CC2=CC=C(C=C2)C(=O)O)S(=O)(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H23ClN2O5S/c22-16-9-11-17(12-10-16)30(28,29)24(19-4-2-1-3-18(19)20(23)25)13-14-5-7-15(8-6-14)21(26)27/h5-12,18-19H,1-4,13H2,(H2,23,25)(H,26,27)