4-[2-[ethyl-(3-methylphenyl)amino]ethylamino]benzenesulfonic acid

Systemtic Name: 4-[2-[ethyl-(3-methylphenyl)amino]ethylamino]benzenesulfonic acid Openeye Name: 4-[2-(N-ethyl-3-methyl-anilino)ethylamino]benzenesulfonic acid CAS Name: 4-[2-(N-ethyl-3-methylanilino)ethylamino]benzenesulfonic acid IUPAC Name: 4-[2-(N-ethyl-3-methylanilino)ethylamino]benzenesulfonic acid Traditional Name: 4-[2-(N-ethyl-3-methyl-anilino)ethylamino]besylic acid Formula: C17H22N2O3S MolecularWeight: 334.43318

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CCNC1=CC=C(C=C1)S(=O)(=O)O)C2=CC=CC(=C2)C

Isomeric SMILES

CCN(CCNC1=CC=C(C=C1)S(=O)(=O)O)C2=CC=CC(=C2)C

InChI

InChI=1S/C17H22N2O3S/c1-3-19(16-6-4-5-14(2)13-16)12-11-18-15-7-9-17(10-8-15)23(20,21)22/h4-10,13,18H,3,11-12H2,1-2H3,(H,20,21,22)