5-[[(3-aminophenyl)carbonylamino]methyl]-2-azanyl-naphthalene-1-sulfonic acid

Systemtic Name: 5-[[(3-aminophenyl)carbonylamino]methyl]-2-azanyl-naphthalene-1-sulfonic acid Openeye Name: 2-amino-5-[[(3-aminobenzoyl)amino]methyl]naphthalene-1-sulfonic acid CAS Name: 2-amino-5-[[[(3-aminophenyl)-oxomethyl]amino]methyl]-1-naphthalenesulfonic acid IUPAC Name: 2-amino-5-[[(3-aminobenzoyl)amino]methyl]naphthalene-1-sulfonic acid Traditional Name: 2-amino-5-[[(3-aminobenzoyl)amino]methyl]naphthalene-1-sulfonic acid Formula: C18H17N3O4S MolecularWeight: 371.41028

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)N)C(=O)NCC2=CC=CC3=C2C=CC(=C3S(=O)(=O)O)N

Isomeric SMILES

C1=CC(=CC(=C1)N)C(=O)NCC2=CC=CC3=C2C=CC(=C3S(=O)(=O)O)N

InChI

InChI=1S/C18H17N3O4S/c19-13-5-1-3-11(9-13)18(22)21-10-12-4-2-6-15-14(12)7-8-16(20)17(15)26(23,24)25/h1-9H,10,19-20H2,(H,21,22)(H,23,24,25)