N-[2-[(2,3-dimethylphenyl)amino]-2-oxidanylidene-ethyl]-1-thiophen-2-ylsulfonyl-piperidine-3-carboxamide

Systemtic Name: N-[2-[(2,3-dimethylphenyl)amino]-2-oxidanylidene-ethyl]-1-thiophen-2-ylsulfonyl-piperidine-3-carboxamide Openeye Name: N-[2-(2,3-dimethylanilino)-2-oxo-ethyl]-1-(2-thienylsulfonyl)piperidine-3-carboxamide CAS Name: N-[2-(2,3-dimethylanilino)-2-oxoethyl]-1-thiophen-2-ylsulfonyl-3-piperidinecarboxamide IUPAC Name: N-[2-(2,3-dimethylanilino)-2-oxoethyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide Traditional Name: N-[2-(2,3-dimethylanilino)-2-keto-ethyl]-1-(2-thienylsulfonyl)nipecotamide Formula: C20H25N3O4S2 MolecularWeight: 435.5602

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC(=O)CNC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=CS3)C

Isomeric SMILES

CC1=C(C(=CC=C1)NC(=O)CNC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=CS3)C

InChI

InChI=1S/C20H25N3O4S2/c1-14-6-3-8-17(15(14)2)22-18(24)12-21-20(25)16-7-4-10-23(13-16)29(26,27)19-9-5-11-28-19/h3,5-6,8-9,11,16H,4,7,10,12-13H2,1-2H3,(H,21,25)(H,22,24)