1H-indol-3-yl 4-methyl-2-propyl-benzenesulfonate

Systemtic Name: 1H-indol-3-yl 4-methyl-2-propyl-benzenesulfonate Openeye Name: 1H-indol-3-yl 4-methyl-2-propyl-benzenesulfonate CAS Name: 4-methyl-2-propylbenzenesulfonic acid 1H-indol-3-yl ester IUPAC Name: 1H-indol-3-yl 4-methyl-2-propylbenzenesulfonate Traditional Name: 4-methyl-2-propyl-benzenesulfonic acid 1H-indol-3-yl ester Formula: C18H19NO3S MolecularWeight: 329.41336

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1)C)S(=O)(=O)OC2=CNC3=CC=CC=C32

Isomeric SMILES

CCCC1=C(C=CC(=C1)C)S(=O)(=O)OC2=CNC3=CC=CC=C32

InChI

InChI=1S/C18H19NO3S/c1-3-6-14-11-13(2)9-10-18(14)23(20,21)22-17-12-19-16-8-5-4-7-15(16)17/h4-5,7-12,19H,3,6H2,1-2H3