2-[(4-chlorophenyl)sulfonyl-[(4-cyanophenyl)methyl]amino]cycloheptane-1-carboxylic acid

Systemtic Name: 2-[(4-chlorophenyl)sulfonyl-[(4-cyanophenyl)methyl]amino]cycloheptane-1-carboxylic acid Openeye Name: 2-[(4-chlorophenyl)sulfonyl-[(4-cyanophenyl)methyl]amino]cycloheptanecarboxylic acid CAS Name: 2-[(4-chlorophenyl)sulfonyl-[(4-cyanophenyl)methyl]amino]-1-cycloheptanecarboxylic acid IUPAC Name: 2-[(4-chlorophenyl)sulfonyl-[(4-cyanophenyl)methyl]amino]cycloheptane-1-carboxylic acid Traditional Name: 2-[(4-chlorophenyl)sulfonyl-(4-cyanobenzyl)amino]cycloheptanecarboxylic acid Formula: C22H23ClN2O4S MolecularWeight: 446.94702

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23ClN2O4S/c23-18-10-12-19(13-11-18)30(28,29)25(15-17-8-6-16(14-24)7-9-17)21-5-3-1-2-4-20(21)22(26)27/h6-13,20-21H,1-5,15H2,(H,26,27)