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

Systemtic Name: butyl 4-[2-[3-[(4-methylphenyl)methylsulfonyl]indol-1-yl]ethanoylamino]benzoate Openeye Name: butyl 4-[[2-[3-(p-tolylmethylsulfonyl)indol-1-yl]acetyl]amino]benzoate CAS Name: 4-[[2-[3-[(4-methylphenyl)methylsulfonyl]-1-indolyl]-1-oxoethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[[2-[3-[(4-methylphenyl)methylsulfonyl]indol-1-yl]acetyl]amino]benzoate Traditional Name: 4-[[2-[3-(4-methylbenzyl)sulfonylindol-1-yl]acetyl]amino]benzoic acid butyl ester Formula: C29H30N2O5S MolecularWeight: 518.6239

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H30N2O5S/c1-3-4-17-36-29(33)23-13-15-24(16-14-23)30-28(32)19-31-18-27(25-7-5-6-8-26(25)31)37(34,35)20-22-11-9-21(2)10-12-22/h5-16,18H,3-4,17,19-20H2,1-2H3,(H,30,32)