4-[2-(1H-indol-3-yl)ethylamino]benzenesulfonic acid

Systemtic Name: 4-[2-(1H-indol-3-yl)ethylamino]benzenesulfonic acid Openeye Name: 4-[2-(1H-indol-3-yl)ethylamino]benzenesulfonic acid CAS Name: 4-[2-(1H-indol-3-yl)ethylamino]benzenesulfonic acid IUPAC Name: 4-[2-(1H-indol-3-yl)ethylamino]benzenesulfonic acid Traditional Name: 4-[2-(1H-indol-3-yl)ethylamino]besylic acid Formula: C16H16N2O3S MolecularWeight: 316.37484

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2)CCNC3=CC=C(C=C3)S(=O)(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2)CCNC3=CC=C(C=C3)S(=O)(=O)O

InChI

InChI=1S/C16H16N2O3S/c19-22(20,21)14-7-5-13(6-8-14)17-10-9-12-11-18-16-4-2-1-3-15(12)16/h1-8,11,17-18H,9-10H2,(H,19,20,21)