butyl 4-[2-[3-(phenylmethyl)sulfonylindol-1-yl]ethanoylamino]benzoate

Systemtic Name: butyl 4-[2-[3-(phenylmethyl)sulfonylindol-1-yl]ethanoylamino]benzoate Openeye Name: butyl 4-[[2-(3-benzylsulfonylindol-1-yl)acetyl]amino]benzoate CAS Name: 4-[[1-oxo-2-[3-(phenylmethyl)sulfonyl-1-indolyl]ethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[[2-(3-benzylsulfonylindol-1-yl)acetyl]amino]benzoate Traditional Name: 4-[[2-(3-benzylsulfonylindol-1-yl)acetyl]amino]benzoic acid butyl ester Formula: C28H28N2O5S MolecularWeight: 504.59732

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=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C28H28N2O5S/c1-2-3-17-35-28(32)22-13-15-23(16-14-22)29-27(31)19-30-18-26(24-11-7-8-12-25(24)30)36(33,34)20-21-9-5-4-6-10-21/h4-16,18H,2-3,17,19-20H2,1H3,(H,29,31)