butyl 4-[2-[phenethyl(phenylsulfonyl)amino]ethanoylamino]benzoate

Systemtic Name: butyl 4-[2-[phenethyl(phenylsulfonyl)amino]ethanoylamino]benzoate Openeye Name: butyl 4-[[2-[benzenesulfonyl(phenethyl)amino]acetyl]amino]benzoate CAS Name: 4-[[2-[benzenesulfonyl(phenethyl)amino]-1-oxoethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[[2-[benzenesulfonyl(phenethyl)amino]acetyl]amino]benzoate Traditional Name: 4-[[2-[besyl(phenethyl)amino]acetyl]amino]benzoic acid butyl ester Formula: C27H30N2O5S MolecularWeight: 494.6025

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)CN(CCC2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)CN(CCC2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C27H30N2O5S/c1-2-3-20-34-27(31)23-14-16-24(17-15-23)28-26(30)21-29(19-18-22-10-6-4-7-11-22)35(32,33)25-12-8-5-9-13-25/h4-17H,2-3,18-21H2,1H3,(H,28,30)