ethyl 1-[2-(1-phenylethylsulfamoyl)-4-(2-thiophen-2-ylethanoylamino)phenyl]piperidine-3-carboxylate

Systemtic Name: ethyl 1-[2-(1-phenylethylsulfamoyl)-4-(2-thiophen-2-ylethanoylamino)phenyl]piperidine-3-carboxylate Openeye Name: ethyl 1-[2-(1-phenylethylsulfamoyl)-4-[[2-(2-thienyl)acetyl]amino]phenyl]piperidine-3-carboxylate CAS Name: 1-[4-[(1-oxo-2-thiophen-2-ylethyl)amino]-2-(1-phenylethylsulfamoyl)phenyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-(1-phenylethylsulfamoyl)-4-[(2-thiophen-2-ylacetyl)amino]phenyl]piperidine-3-carboxylate Traditional Name: 1-[2-(1-phenylethylsulfamoyl)-4-[[2-(2-thienyl)acetyl]amino]phenyl]nipecotic acid ethyl ester Formula: C28H33N3O5S2 MolecularWeight: 555.70872

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C2=C(C=C(C=C2)NC(=O)CC3=CC=CS3)S(=O)(=O)NC(C)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C2=C(C=C(C=C2)NC(=O)CC3=CC=CS3)S(=O)(=O)NC(C)C4=CC=CC=C4

InChI

InChI=1S/C28H33N3O5S2/c1-3-36-28(33)22-11-7-15-31(19-22)25-14-13-23(29-27(32)18-24-12-8-16-37-24)17-26(25)38(34,35)30-20(2)21-9-5-4-6-10-21/h4-6,8-10,12-14,16-17,20,22,30H,3,7,11,15,18-19H2,1-2H3,(H,29,32)