ethyl 4-[2-[3-[(2-methylphenyl)methylsulfonyl]indol-1-yl]ethanoylamino]benzoate

Systemtic Name: ethyl 4-[2-[3-[(2-methylphenyl)methylsulfonyl]indol-1-yl]ethanoylamino]benzoate Openeye Name: ethyl 4-[[2-[3-(o-tolylmethylsulfonyl)indol-1-yl]acetyl]amino]benzoate CAS Name: 4-[[2-[3-[(2-methylphenyl)methylsulfonyl]-1-indolyl]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-[3-[(2-methylphenyl)methylsulfonyl]indol-1-yl]acetyl]amino]benzoate Traditional Name: 4-[[2-[3-(2-methylbenzyl)sulfonylindol-1-yl]acetyl]amino]benzoic acid ethyl ester Formula: C27H26N2O5S MolecularWeight: 490.57074

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)CN2C=C(C3=CC=CC=C32)S(=O)(=O)CC4=CC=CC=C4C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)CN2C=C(C3=CC=CC=C32)S(=O)(=O)CC4=CC=CC=C4C

InChI

InChI=1S/C27H26N2O5S/c1-3-34-27(31)20-12-14-22(15-13-20)28-26(30)17-29-16-25(23-10-6-7-11-24(23)29)35(32,33)18-21-9-5-4-8-19(21)2/h4-16H,3,17-18H2,1-2H3,(H,28,30)