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

Systemtic Name: 2-[(4-chlorophenyl)sulfonyl-[(4-pyrazol-1-ylphenyl)methyl]amino]cycloheptane-1-carboxylic acid Openeye Name: 2-[(4-chlorophenyl)sulfonyl-[(4-pyrazol-1-ylphenyl)methyl]amino]cycloheptanecarboxylic acid CAS Name: 2-[(4-chlorophenyl)sulfonyl-[[4-(1-pyrazolyl)phenyl]methyl]amino]-1-cycloheptanecarboxylic acid IUPAC Name: 2-[(4-chlorophenyl)sulfonyl-[(4-pyrazol-1-ylphenyl)methyl]amino]cycloheptane-1-carboxylic acid Traditional Name: 2-[(4-chlorophenyl)sulfonyl-(4-pyrazol-1-ylbenzyl)amino]cycloheptanecarboxylic acid Formula: C24H26ClN3O4S MolecularWeight: 487.99894

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(CC1)N(CC2=CC=C(C=C2)N3C=CC=N3)S(=O)(=O)C4=CC=C(C=C4)Cl)C(=O)O

Isomeric SMILES

C1CCC(C(CC1)N(CC2=CC=C(C=C2)N3C=CC=N3)S(=O)(=O)C4=CC=C(C=C4)Cl)C(=O)O

InChI

InChI=1S/C24H26ClN3O4S/c25-19-9-13-21(14-10-19)33(31,32)28(23-6-3-1-2-5-22(23)24(29)30)17-18-7-11-20(12-8-18)27-16-4-15-26-27/h4,7-16,22-23H,1-3,5-6,17H2,(H,29,30)