2-[(2-methyl-5-piperidin-1-ylsulfonyl-phenyl)amino]-N-(2-thiophen-2-ylethylcarbamoyl)ethanamide

Systemtic Name: 2-[(2-methyl-5-piperidin-1-ylsulfonyl-phenyl)amino]-N-(2-thiophen-2-ylethylcarbamoyl)ethanamide Openeye Name: 2-[2-methyl-5-(1-piperidylsulfonyl)anilino]-N-[2-(2-thienyl)ethylcarbamoyl]acetamide CAS Name: 2-[2-methyl-5-(1-piperidinylsulfonyl)anilino]-N-[oxo-(2-thiophen-2-ylethylamino)methyl]acetamide IUPAC Name: 2-(2-methyl-5-piperidin-1-ylsulfonylanilino)-N-(2-thiophen-2-ylethylcarbamoyl)acetamide Traditional Name: 2-(2-methyl-5-piperidinosulfonyl-anilino)-N-[2-(2-thienyl)ethylcarbamoyl]acetamide Formula: C21H28N4O4S2 MolecularWeight: 464.60142

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NCC(=O)NC(=O)NCCC3=CC=CS3

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NCC(=O)NC(=O)NCCC3=CC=CS3

InChI

InChI=1S/C21H28N4O4S2/c1-16-7-8-18(31(28,29)25-11-3-2-4-12-25)14-19(16)23-15-20(26)24-21(27)22-10-9-17-6-5-13-30-17/h5-8,13-14,23H,2-4,9-12,15H2,1H3,(H2,22,24,26,27)