3-indol-1-ylbutyl 4-methylbenzenesulfonate

Systemtic Name: 3-indol-1-ylbutyl 4-methylbenzenesulfonate Openeye Name: 3-indol-1-ylbutyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 3-(1-indolyl)butyl ester IUPAC Name: 3-indol-1-ylbutyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 3-indol-1-ylbutyl ester Formula: C19H21NO3S MolecularWeight: 343.43994

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCCC(C)N2C=CC3=CC=CC=C32

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCCC(C)N2C=CC3=CC=CC=C32

InChI

InChI=1S/C19H21NO3S/c1-15-7-9-18(10-8-15)24(21,22)23-14-12-16(2)20-13-11-17-5-3-4-6-19(17)20/h3-11,13,16H,12,14H2,1-2H3