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

Systemtic Name: butyl 4-[2-[3-(phenylsulfonyl)indol-1-yl]ethanoylamino]benzoate Openeye Name: butyl 4-[[2-[3-(benzenesulfonyl)indol-1-yl]acetyl]amino]benzoate CAS Name: 4-[[2-[3-(benzenesulfonyl)-1-indolyl]-1-oxoethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[[2-[3-(benzenesulfonyl)indol-1-yl]acetyl]amino]benzoate Traditional Name: 4-[[2-(3-besylindol-1-yl)acetyl]amino]benzoic acid butyl ester Formula: C27H26N2O5S MolecularWeight: 490.57074

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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