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

Systemtic Name: 4-[[(2-aminocarbonylcycloheptyl)-(4-chlorophenyl)sulfonyl-amino]methyl]benzoic acid Openeye Name: 4-[[(2-carbamoylcycloheptyl)-(4-chlorophenyl)sulfonyl-amino]methyl]benzoic acid CAS Name: 4-[[(2-carbamoylcycloheptyl)-(4-chlorophenyl)sulfonylamino]methyl]benzoic acid IUPAC Name: 4-[[(2-carbamoylcycloheptyl)-(4-chlorophenyl)sulfonylamino]methyl]benzoic acid Traditional Name: 4-[[(2-carbamoylcycloheptyl)-(4-chlorophenyl)sulfonyl-amino]methyl]benzoic acid Formula: C22H25ClN2O5S MolecularWeight: 464.9623

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(CC1)N(CC2=CC=C(C=C2)C(=O)O)S(=O)(=O)C3=CC=C(C=C3)Cl)C(=O)N

Isomeric SMILES

C1CCC(C(CC1)N(CC2=CC=C(C=C2)C(=O)O)S(=O)(=O)C3=CC=C(C=C3)Cl)C(=O)N

InChI

InChI=1S/C22H25ClN2O5S/c23-17-10-12-18(13-11-17)31(29,30)25(14-15-6-8-16(9-7-15)22(27)28)20-5-3-1-2-4-19(20)21(24)26/h6-13,19-20H,1-5,14H2,(H2,24,26)(H,27,28)