4-cyclohexylsulfonyl-2-[(phenylmethyl)amino]-5-sulfamoyl-benzenesulfonic acid

Systemtic Name: 4-cyclohexylsulfonyl-2-[(phenylmethyl)amino]-5-sulfamoyl-benzenesulfonic acid Openeye Name: 2-(benzylamino)-4-cyclohexylsulfonyl-5-sulfamoyl-benzenesulfonic acid CAS Name: 4-cyclohexylsulfonyl-2-[(phenylmethyl)amino]-5-sulfamoylbenzenesulfonic acid IUPAC Name: 2-(benzylamino)-4-cyclohexylsulfonyl-5-sulfamoylbenzenesulfonic acid Traditional Name: 2-(benzylamino)-4-cyclohexylsulfonyl-5-sulfamoyl-besylic acid Formula: C19H24N2O7S3 MolecularWeight: 488.59806

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)S(=O)(=O)C2=C(C=C(C(=C2)NCC3=CC=CC=C3)S(=O)(=O)O)S(=O)(=O)N

Isomeric SMILES

C1CCC(CC1)S(=O)(=O)C2=C(C=C(C(=C2)NCC3=CC=CC=C3)S(=O)(=O)O)S(=O)(=O)N

InChI

InChI=1S/C19H24N2O7S3/c20-30(24,25)19-12-17(31(26,27)28)16(21-13-14-7-3-1-4-8-14)11-18(19)29(22,23)15-9-5-2-6-10-15/h1,3-4,7-8,11-12,15,21H,2,5-6,9-10,13H2,(H2,20,24,25)(H,26,27,28)