propan-2-yl 3-phenyl-3-[(1-thiophen-2-ylsulfonylpiperidin-3-yl)carbonylamino]propanoate

Systemtic Name: propan-2-yl 3-phenyl-3-[(1-thiophen-2-ylsulfonylpiperidin-3-yl)carbonylamino]propanoate Openeye Name: isopropyl 3-phenyl-3-[[1-(2-thienylsulfonyl)piperidine-3-carbonyl]amino]propanoate CAS Name: 3-[[oxo-(1-thiophen-2-ylsulfonyl-3-piperidinyl)methyl]amino]-3-phenylpropanoic acid propan-2-yl ester IUPAC Name: propan-2-yl 3-phenyl-3-[(1-thiophen-2-ylsulfonylpiperidine-3-carbonyl)amino]propanoate Traditional Name: 3-phenyl-3-[[1-(2-thienylsulfonyl)nipecotoyl]amino]propionic acid isopropyl ester Formula: C22H28N2O5S2 MolecularWeight: 464.59812

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)CC(C1=CC=CC=C1)NC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=CS3

Isomeric SMILES

CC(C)OC(=O)CC(C1=CC=CC=C1)NC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C22H28N2O5S2/c1-16(2)29-20(25)14-19(17-8-4-3-5-9-17)23-22(26)18-10-6-12-24(15-18)31(27,28)21-11-7-13-30-21/h3-5,7-9,11,13,16,18-19H,6,10,12,14-15H2,1-2H3,(H,23,26)