N-methyl-N-[(3-nitrophenyl)methyl]-1-thiophen-2-ylsulfonyl-piperidine-4-carboxamide

Systemtic Name: N-methyl-N-[(3-nitrophenyl)methyl]-1-thiophen-2-ylsulfonyl-piperidine-4-carboxamide Openeye Name: N-methyl-N-[(3-nitrophenyl)methyl]-1-(2-thienylsulfonyl)piperidine-4-carboxamide CAS Name: N-methyl-N-[(3-nitrophenyl)methyl]-1-thiophen-2-ylsulfonyl-4-piperidinecarboxamide IUPAC Name: N-methyl-N-[(3-nitrophenyl)methyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide Traditional Name: N-methyl-N-(3-nitrobenzyl)-1-(2-thienylsulfonyl)isonipecotamide Formula: C18H21N3O5S2 MolecularWeight: 423.50644

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC(=CC=C1)[N+](=O)[O-])C(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CS3

Isomeric SMILES

CN(CC1=CC(=CC=C1)[N+](=O)[O-])C(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C18H21N3O5S2/c1-19(13-14-4-2-5-16(12-14)21(23)24)18(22)15-7-9-20(10-8-15)28(25,26)17-6-3-11-27-17/h2-6,11-12,15H,7-10,13H2,1H3