[(2-tert-butylphenyl)amino] naphthalene-1-sulfonate

Systemtic Name: [(2-tert-butylphenyl)amino] naphthalene-1-sulfonate Openeye Name: (2-tert-butylanilino) naphthalene-1-sulfonate CAS Name: 1-naphthalenesulfonic acid (2-tert-butylanilino) ester IUPAC Name: (2-tert-butylanilino) naphthalene-1-sulfonate Traditional Name: naphthalene-1-sulfonic acid (2-tert-butylanilino) ester Formula: C20H21NO3S MolecularWeight: 355.45064

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=CC=C1NOS(=O)(=O)C2=CC=CC3=CC=CC=C32

Isomeric SMILES

CC(C)(C)C1=CC=CC=C1NOS(=O)(=O)C2=CC=CC3=CC=CC=C32

InChI

InChI=1S/C20H21NO3S/c1-20(2,3)17-12-6-7-13-18(17)21-24-25(22,23)19-14-8-10-15-9-4-5-11-16(15)19/h4-14,21H,1-3H3