2-(5-nitro-1H-indol-3-yl)ethyl 4-methylbenzenesulfonate

Systemtic Name: 2-(5-nitro-1H-indol-3-yl)ethyl 4-methylbenzenesulfonate Openeye Name: 2-(5-nitro-1H-indol-3-yl)ethyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 2-(5-nitro-1H-indol-3-yl)ethyl ester IUPAC Name: 2-(5-nitro-1H-indol-3-yl)ethyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 2-(5-nitro-1H-indol-3-yl)ethyl ester Formula: C17H16N2O5S MolecularWeight: 360.38434

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCCC2=CNC3=C2C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCCC2=CNC3=C2C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H16N2O5S/c1-12-2-5-15(6-3-12)25(22,23)24-9-8-13-11-18-17-7-4-14(19(20)21)10-16(13)17/h2-7,10-11,18H,8-9H2,1H3