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

Systemtic Name: butyl 4-[2-[(phenylmethyl)-(phenylsulfonyl)amino]ethanoylamino]benzoate Openeye Name: butyl 4-[[2-[benzenesulfonyl(benzyl)amino]acetyl]amino]benzoate CAS Name: 4-[[2-[benzenesulfonyl-(phenylmethyl)amino]-1-oxoethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[[2-[benzenesulfonyl(benzyl)amino]acetyl]amino]benzoate Traditional Name: 4-[[2-[benzyl(besyl)amino]acetyl]amino]benzoic acid butyl ester Formula: C26H28N2O5S MolecularWeight: 480.57592

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)CN(CC2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)CN(CC2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C26H28N2O5S/c1-2-3-18-33-26(30)22-14-16-23(17-15-22)27-25(29)20-28(19-21-10-6-4-7-11-21)34(31,32)24-12-8-5-9-13-24/h4-17H,2-3,18-20H2,1H3,(H,27,29)