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

Systemtic Name: N-[2-[(2,3-dimethylphenyl)amino]-2-oxidanylidene-ethyl]-3-piperidin-1-ylsulfonyl-thiophene-2-carboxamide Openeye Name: N-[2-(2,3-dimethylanilino)-2-oxo-ethyl]-3-(1-piperidylsulfonyl)thiophene-2-carboxamide CAS Name: N-[2-(2,3-dimethylanilino)-2-oxoethyl]-3-(1-piperidinylsulfonyl)-2-thiophenecarboxamide IUPAC Name: N-[2-(2,3-dimethylanilino)-2-oxoethyl]-3-piperidin-1-ylsulfonylthiophene-2-carboxamide Traditional Name: N-[2-(2,3-dimethylanilino)-2-keto-ethyl]-3-piperidinosulfonyl-thiophene-2-carboxamide Formula: C20H25N3O4S2 MolecularWeight: 435.5602

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC(=O)CNC(=O)C2=C(C=CS2)S(=O)(=O)N3CCCCC3)C

Isomeric SMILES

CC1=C(C(=CC=C1)NC(=O)CNC(=O)C2=C(C=CS2)S(=O)(=O)N3CCCCC3)C

InChI

InChI=1S/C20H25N3O4S2/c1-14-7-6-8-16(15(14)2)22-18(24)13-21-20(25)19-17(9-12-28-19)29(26,27)23-10-4-3-5-11-23/h6-9,12H,3-5,10-11,13H2,1-2H3,(H,21,25)(H,22,24)