ethyl 4-[2-[3-[(2,5-dimethylphenyl)methylsulfonyl]indol-1-yl]ethanoylamino]benzoate

Systemtic Name: ethyl 4-[2-[3-[(2,5-dimethylphenyl)methylsulfonyl]indol-1-yl]ethanoylamino]benzoate Openeye Name: ethyl 4-[[2-[3-[(2,5-dimethylphenyl)methylsulfonyl]indol-1-yl]acetyl]amino]benzoate CAS Name: 4-[[2-[3-[(2,5-dimethylphenyl)methylsulfonyl]-1-indolyl]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-[3-[(2,5-dimethylphenyl)methylsulfonyl]indol-1-yl]acetyl]amino]benzoate Traditional Name: 4-[[2-[3-(2,5-dimethylbenzyl)sulfonylindol-1-yl]acetyl]amino]benzoic acid ethyl ester Formula: C28H28N2O5S MolecularWeight: 504.59732

Click to see the large picture

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=C(C=CC(=C4)C)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)CN2C=C(C3=CC=CC=C32)S(=O)(=O)CC4=C(C=CC(=C4)C)C

InChI

InChI=1S/C28H28N2O5S/c1-4-35-28(32)21-11-13-23(14-12-21)29-27(31)17-30-16-26(24-7-5-6-8-25(24)30)36(33,34)18-22-15-19(2)9-10-20(22)3/h5-16H,4,17-18H2,1-3H3,(H,29,31)