6-[(4-azanyl-3-methyl-phenyl)carbonylamino]-3-oxidanyl-naphthalene-2-sulfonic acid

Systemtic Name: 6-[(4-azanyl-3-methyl-phenyl)carbonylamino]-3-oxidanyl-naphthalene-2-sulfonic acid Openeye Name: 6-[(4-amino-3-methyl-benzoyl)amino]-3-hydroxy-naphthalene-2-sulfonic acid CAS Name: 6-[[(4-amino-3-methylphenyl)-oxomethyl]amino]-3-hydroxy-2-naphthalenesulfonic acid IUPAC Name: 6-[(4-amino-3-methylbenzoyl)amino]-3-hydroxynaphthalene-2-sulfonic acid Traditional Name: 6-[(4-amino-3-methyl-benzoyl)amino]-3-hydroxy-naphthalene-2-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=CC3=CC(=C(C=C3C=C2)S(=O)(=O)O)O)N

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)NC2=CC3=CC(=C(C=C3C=C2)S(=O)(=O)O)O)N

InChI

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