N-[2-[(2-methoxy-5-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-1-thiophen-2-ylsulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[2-[(2-methoxy-5-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-1-thiophen-2-ylsulfonyl-piperidine-4-carboxamide Openeye Name: N-[2-(2-methoxy-5-methyl-anilino)-2-oxo-ethyl]-1-(2-thienylsulfonyl)piperidine-4-carboxamide CAS Name: N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-1-thiophen-2-ylsulfonyl-4-piperidinecarboxamide IUPAC Name: N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide Traditional Name: N-[2-keto-2-(2-methoxy-5-methyl-anilino)ethyl]-1-(2-thienylsulfonyl)isonipecotamide Formula: C20H25N3O5S2 MolecularWeight: 451.5596

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)NC(=O)CNC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CS3

Isomeric SMILES

CC1=CC(=C(C=C1)OC)NC(=O)CNC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C20H25N3O5S2/c1-14-5-6-17(28-2)16(12-14)22-18(24)13-21-20(25)15-7-9-23(10-8-15)30(26,27)19-4-3-11-29-19/h3-6,11-12,15H,7-10,13H2,1-2H3,(H,21,25)(H,22,24)