2-[4-(1H-indol-3-yl)butanoylamino]benzenesulfonate

Systemtic Name: 2-[4-(1H-indol-3-yl)butanoylamino]benzenesulfonate Openeye Name: 2-[4-(1H-indol-3-yl)butanoylamino]benzenesulfonate CAS Name: 2-[[4-(1H-indol-3-yl)-1-oxobutyl]amino]benzenesulfonate IUPAC Name: 2-[4-(1H-indol-3-yl)butanoylamino]benzenesulfonate Traditional Name: 2-[4-(1H-indol-3-yl)butanoylamino]besylate Formula: C18H17N2O4S- MolecularWeight: 357.40358

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2)CCCC(=O)NC3=CC=CC=C3S(=O)(=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2)CCCC(=O)NC3=CC=CC=C3S(=O)(=O)[O-]

InChI

InChI=1S/C18H18N2O4S/c21-18(20-16-9-3-4-10-17(16)25(22,23)24)11-5-6-13-12-19-15-8-2-1-7-14(13)15/h1-4,7-10,12,19H,5-6,11H2,(H,20,21)(H,22,23,24)/p-1