1-(2-methyl-5-nitro-phenyl)sulfonyl-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide

Systemtic Name: 1-(2-methyl-5-nitro-phenyl)sulfonyl-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide Openeye Name: 1-(2-methyl-5-nitro-phenyl)sulfonyl-N-(2-thienylmethyl)piperidine-4-carboxamide CAS Name: 1-(2-methyl-5-nitrophenyl)sulfonyl-N-(thiophen-2-ylmethyl)-4-piperidinecarboxamide IUPAC Name: 1-(2-methyl-5-nitrophenyl)sulfonyl-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide Traditional Name: 1-(2-methyl-5-nitro-phenyl)sulfonyl-N-(2-thenyl)isonipecotamide Formula: C18H21N3O5S2 MolecularWeight: 423.50644

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCC(CC2)C(=O)NCC3=CC=CS3

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCC(CC2)C(=O)NCC3=CC=CS3

InChI

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