2-[(3,4-dichlorophenyl)amino]cycloheptane-1-sulfonic acid

Systemtic Name: 2-[(3,4-dichlorophenyl)amino]cycloheptane-1-sulfonic acid Openeye Name: 2-(3,4-dichloroanilino)cycloheptanesulfonic acid CAS Name: 2-(3,4-dichloroanilino)-1-cycloheptanesulfonic acid IUPAC Name: 2-(3,4-dichloroanilino)cycloheptane-1-sulfonic acid Traditional Name: 2-(3,4-dichloroanilino)cycloheptanesulfonic acid Formula: C13H17Cl2NO3S MolecularWeight: 338.24998

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(CC1)S(=O)(=O)O)NC2=CC(=C(C=C2)Cl)Cl

Isomeric SMILES

C1CCC(C(CC1)S(=O)(=O)O)NC2=CC(=C(C=C2)Cl)Cl

InChI

InChI=1S/C13H17Cl2NO3S/c14-10-7-6-9(8-11(10)15)16-12-4-2-1-3-5-13(12)20(17,18)19/h6-8,12-13,16H,1-5H2,(H,17,18,19)