[3-[(4-aminophenyl)carbonylamino]phenyl]methyl-cyclohexyl-sulfo-azanium chloride

Systemtic Name: [3-[(4-aminophenyl)carbonylamino]phenyl]methyl-cyclohexyl-sulfo-azanium chloride Openeye Name: [3-[(4-aminobenzoyl)amino]phenyl]methyl-cyclohexyl-sulfo-ammonium chloride CAS Name: [3-[[(4-aminophenyl)-oxomethyl]amino]phenyl]methyl-cyclohexyl-sulfoammonium chloride IUPAC Name: [3-[(4-aminobenzoyl)amino]phenyl]methyl-cyclohexyl-sulfoazanium chloride Traditional Name: [3-[(4-aminobenzoyl)amino]benzyl]-cyclohexyl-sulfo-ammonium chloride Formula: C20H26ClN3O4S MolecularWeight: 439.95614

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)[NH+](CC2=CC(=CC=C2)NC(=O)C3=CC=C(C=C3)N)S(=O)(=O)O.[Cl-]

Isomeric SMILES

C1CCC(CC1)[NH+](CC2=CC(=CC=C2)NC(=O)C3=CC=C(C=C3)N)S(=O)(=O)O.[Cl-]

InChI

InChI=1S/C20H25N3O4S.ClH/c21-17-11-9-16(10-12-17)20(24)22-18-6-4-5-15(13-18)14-23(28(25,26)27)19-7-2-1-3-8-19;/h4-6,9-13,19H,1-3,7-8,14,21H2,(H,22,24)(H,25,26,27);1H