4-[(4-azanyl-3-methyl-phenyl)carbonylamino]-8-oxidanyl-naphthalene-1-sulfonic acid

Systemtic Name: 4-[(4-azanyl-3-methyl-phenyl)carbonylamino]-8-oxidanyl-naphthalene-1-sulfonic acid Openeye Name: 4-[(4-amino-3-methyl-benzoyl)amino]-8-hydroxy-naphthalene-1-sulfonic acid CAS Name: 4-[[(4-amino-3-methylphenyl)-oxomethyl]amino]-8-hydroxy-1-naphthalenesulfonic acid IUPAC Name: 4-[(4-amino-3-methylbenzoyl)amino]-8-hydroxynaphthalene-1-sulfonic acid Traditional Name: 4-[(4-amino-3-methyl-benzoyl)amino]-8-hydroxy-naphthalene-1-sulfonic acid Formula: C18H16N2O5S MolecularWeight: 372.39504

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)NC2=C3C=CC=C(C3=C(C=C2)S(=O)(=O)O)O)N

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)NC2=C3C=CC=C(C3=C(C=C2)S(=O)(=O)O)O)N

InChI

InChI=1S/C18H16N2O5S/c1-10-9-11(5-6-13(10)19)18(22)20-14-7-8-16(26(23,24)25)17-12(14)3-2-4-15(17)21/h2-9,21H,19H2,1H3,(H,20,22)(H,23,24,25)