N-[2-(2-azanyl-2-oxidanylidene-ethyl)sulfanylphenyl]-1-thiophen-2-ylsulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[2-(2-azanyl-2-oxidanylidene-ethyl)sulfanylphenyl]-1-thiophen-2-ylsulfonyl-piperidine-4-carboxamide Openeye Name: N-[2-(2-amino-2-oxo-ethyl)sulfanylphenyl]-1-(2-thienylsulfonyl)piperidine-4-carboxamide CAS Name: N-[2-[(2-amino-2-oxoethyl)thio]phenyl]-1-thiophen-2-ylsulfonyl-4-piperidinecarboxamide IUPAC Name: N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide Traditional Name: N-[2-[(2-amino-2-keto-ethyl)thio]phenyl]-1-(2-thienylsulfonyl)isonipecotamide Formula: C18H21N3O4S3 MolecularWeight: 439.57204

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NC2=CC=CC=C2SCC(=O)N)S(=O)(=O)C3=CC=CS3

Isomeric SMILES

C1CN(CCC1C(=O)NC2=CC=CC=C2SCC(=O)N)S(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C18H21N3O4S3/c19-16(22)12-27-15-5-2-1-4-14(15)20-18(23)13-7-9-21(10-8-13)28(24,25)17-6-3-11-26-17/h1-6,11,13H,7-10,12H2,(H2,19,22)(H,20,23)