ethyl 4-[[4-oxidanylidene-4-[[(1R)-1-phenylethyl]amino]butyl]sulfamoyl]benzoate

Systemtic Name: ethyl 4-[[4-oxidanylidene-4-[[(1R)-1-phenylethyl]amino]butyl]sulfamoyl]benzoate Openeye Name: ethyl 4-[[4-oxo-4-[[(1R)-1-phenylethyl]amino]butyl]sulfamoyl]benzoate CAS Name: 4-[[4-oxo-4-[[(1R)-1-phenylethyl]amino]butyl]sulfamoyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[4-oxo-4-[[(1R)-1-phenylethyl]amino]butyl]sulfamoyl]benzoate Traditional Name: 4-[[4-keto-4-[[(1R)-1-phenylethyl]amino]butyl]sulfamoyl]benzoic acid ethyl ester Formula: C21H26N2O5S MolecularWeight: 418.50654

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)NCCCC(=O)NC(C)C2=CC=CC=C2

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)NCCCC(=O)N[C@H](C)C2=CC=CC=C2

InChI

InChI=1S/C21H26N2O5S/c1-3-28-21(25)18-11-13-19(14-12-18)29(26,27)22-15-7-10-20(24)23-16(2)17-8-5-4-6-9-17/h4-6,8-9,11-14,16,22H,3,7,10,15H2,1-2H3,(H,23,24)/t16-/m1/s1