1-[4-(methylamino)-3-nitro-phenyl]sulfonyl-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]piperidine-4-carboxamide

Systemtic Name: 1-[4-(methylamino)-3-nitro-phenyl]sulfonyl-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]piperidine-4-carboxamide Openeye Name: 1-[4-(methylamino)-3-nitro-phenyl]sulfonyl-N-[2-(2-thienylmethylsulfanyl)ethyl]piperidine-4-carboxamide CAS Name: 1-[4-(methylamino)-3-nitrophenyl]sulfonyl-N-[2-(thiophen-2-ylmethylthio)ethyl]-4-piperidinecarboxamide IUPAC Name: 1-[4-(methylamino)-3-nitrophenyl]sulfonyl-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]piperidine-4-carboxamide Traditional Name: 1-[4-(methylamino)-3-nitro-phenyl]sulfonyl-N-[2-(2-thenylthio)ethyl]isonipecotamide Formula: C20H26N4O5S3 MolecularWeight: 498.63924

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NCCSCC3=CC=CS3)[N+](=O)[O-]

Isomeric SMILES

CNC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NCCSCC3=CC=CS3)[N+](=O)[O-]

InChI

InChI=1S/C20H26N4O5S3/c1-21-18-5-4-17(13-19(18)24(26)27)32(28,29)23-9-6-15(7-10-23)20(25)22-8-12-30-14-16-3-2-11-31-16/h2-5,11,13,15,21H,6-10,12,14H2,1H3,(H,22,25)