4-[(3-azanyl-4-methyl-phenyl)carbonylamino]naphthalene-1-sulfonic acid

Systemtic Name: 4-[(3-azanyl-4-methyl-phenyl)carbonylamino]naphthalene-1-sulfonic acid Openeye Name: 4-[(3-amino-4-methyl-benzoyl)amino]naphthalene-1-sulfonic acid CAS Name: 4-[[(3-amino-4-methylphenyl)-oxomethyl]amino]-1-naphthalenesulfonic acid IUPAC Name: 4-[(3-amino-4-methylbenzoyl)amino]naphthalene-1-sulfonic acid Traditional Name: 4-[(3-amino-4-methyl-benzoyl)amino]naphthalene-1-sulfonic acid Formula: C18H16N2O4S MolecularWeight: 356.39564

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC2=CC=C(C3=CC=CC=C32)S(=O)(=O)O)N

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC2=CC=C(C3=CC=CC=C32)S(=O)(=O)O)N

InChI

InChI=1S/C18H16N2O4S/c1-11-6-7-12(10-15(11)19)18(21)20-16-8-9-17(25(22,23)24)14-5-3-2-4-13(14)16/h2-10H,19H2,1H3,(H,20,21)(H,22,23,24)