2-[2-[(3-azanyl-2,6-diethyl-phenyl)amino]-2-oxidanylidene-ethyl]benzenesulfonic acid

Systemtic Name: 2-[2-[(3-azanyl-2,6-diethyl-phenyl)amino]-2-oxidanylidene-ethyl]benzenesulfonic acid Openeye Name: 2-[2-(3-amino-2,6-diethyl-anilino)-2-oxo-ethyl]benzenesulfonic acid CAS Name: 2-[2-(3-amino-2,6-diethylanilino)-2-oxoethyl]benzenesulfonic acid IUPAC Name: 2-[2-(3-amino-2,6-diethylanilino)-2-oxoethyl]benzenesulfonic acid Traditional Name: 2-[2-(3-amino-2,6-diethyl-anilino)-2-keto-ethyl]besylic acid Formula: C18H22N2O4S MolecularWeight: 362.44328

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C(C=C1)N)CC)NC(=O)CC2=CC=CC=C2S(=O)(=O)O

Isomeric SMILES

CCC1=C(C(=C(C=C1)N)CC)NC(=O)CC2=CC=CC=C2S(=O)(=O)O

InChI

InChI=1S/C18H22N2O4S/c1-3-12-9-10-15(19)14(4-2)18(12)20-17(21)11-13-7-5-6-8-16(13)25(22,23)24/h5-10H,3-4,11,19H2,1-2H3,(H,20,21)(H,22,23,24)