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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=O)CNC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=CS3

Isomeric SMILES

CCC1=CC=CC=C1NC(=O)CNC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=CS3

InChI

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