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

Systemtic Name: 4-butylsulfonyl-2-[(phenylmethyl)amino]-5-sulfamoyl-benzenesulfonic acid Openeye Name: 2-(benzylamino)-4-butylsulfonyl-5-sulfamoyl-benzenesulfonic acid CAS Name: 4-butylsulfonyl-2-[(phenylmethyl)amino]-5-sulfamoylbenzenesulfonic acid IUPAC Name: 2-(benzylamino)-4-butylsulfonyl-5-sulfamoylbenzenesulfonic acid Traditional Name: 2-(benzylamino)-4-butylsulfonyl-5-sulfamoyl-besylic acid Formula: C17H22N2O7S3 MolecularWeight: 462.56078

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Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)(=O)C1=C(C=C(C(=C1)NCC2=CC=CC=C2)S(=O)(=O)O)S(=O)(=O)N

Isomeric SMILES

CCCCS(=O)(=O)C1=C(C=C(C(=C1)NCC2=CC=CC=C2)S(=O)(=O)O)S(=O)(=O)N

InChI

InChI=1S/C17H22N2O7S3/c1-2-3-9-27(20,21)16-10-14(19-12-13-7-5-4-6-8-13)15(29(24,25)26)11-17(16)28(18,22)23/h4-8,10-11,19H,2-3,9,12H2,1H3,(H2,18,22,23)(H,24,25,26)