sodium 4-cyclohexylsulfonyl-2-[(phenylmethyl)amino]-5-sulfamoyl-benzenesulfonate

Systemtic Name: sodium 4-cyclohexylsulfonyl-2-[(phenylmethyl)amino]-5-sulfamoyl-benzenesulfonate Openeye Name: sodium 2-(benzylamino)-4-cyclohexylsulfonyl-5-sulfamoyl-benzenesulfonate CAS Name: sodium 4-cyclohexylsulfonyl-2-[(phenylmethyl)amino]-5-sulfamoylbenzenesulfonate IUPAC Name: sodium 2-(benzylamino)-4-cyclohexylsulfonyl-5-sulfamoylbenzenesulfonate Traditional Name: sodium 2-(benzylamino)-4-cyclohexylsulfonyl-5-sulfamoyl-besylate Formula: C19H23N2NaO7S3 MolecularWeight: 510.57989

Click to see the large picture

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.[Na+]

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.[Na+]

InChI

InChI=1S/C19H24N2O7S3.Na/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);/q;+1/p-1