2-(2-methyl-3-naphthalen-1-ylcarbonyl-indol-1-yl)ethyl 4-methylbenzenesulfonate

Systemtic Name: 2-(2-methyl-3-naphthalen-1-ylcarbonyl-indol-1-yl)ethyl 4-methylbenzenesulfonate Openeye Name: 2-[2-methyl-3-(naphthalene-1-carbonyl)indol-1-yl]ethyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 2-[2-methyl-3-[1-naphthalenyl(oxo)methyl]-1-indolyl]ethyl ester IUPAC Name: 2-[2-methyl-3-(naphthalene-1-carbonyl)indol-1-yl]ethyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 2-[2-methyl-3-(1-naphthoyl)indol-1-yl]ethyl ester Formula: C29H25NO4S MolecularWeight: 483.5781

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCCN2C(=C(C3=CC=CC=C32)C(=O)C4=CC=CC5=CC=CC=C54)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCCN2C(=C(C3=CC=CC=C32)C(=O)C4=CC=CC5=CC=CC=C54)C

InChI

InChI=1S/C29H25NO4S/c1-20-14-16-23(17-15-20)35(32,33)34-19-18-30-21(2)28(26-11-5-6-13-27(26)30)29(31)25-12-7-9-22-8-3-4-10-24(22)25/h3-17H,18-19H2,1-2H3