N-(4-methyl-3-piperidin-1-ylsulfonyl-phenyl)-2-nitro-cyclopropane-1-carboxamide

Systemtic Name: N-(4-methyl-3-piperidin-1-ylsulfonyl-phenyl)-2-nitro-cyclopropane-1-carboxamide Openeye Name: N-[4-methyl-3-(1-piperidylsulfonyl)phenyl]-2-nitro-cyclopropanecarboxamide CAS Name: N-[4-methyl-3-(1-piperidinylsulfonyl)phenyl]-2-nitro-1-cyclopropanecarboxamide IUPAC Name: N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-2-nitrocyclopropane-1-carboxamide Traditional Name: N-(4-methyl-3-piperidinosulfonyl-phenyl)-2-nitro-cyclopropanecarboxamide Formula: C16H21N3O5S MolecularWeight: 367.42004

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2CC2[N+](=O)[O-])S(=O)(=O)N3CCCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2CC2[N+](=O)[O-])S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C16H21N3O5S/c1-11-5-6-12(17-16(20)13-10-14(13)19(21)22)9-15(11)25(23,24)18-7-3-2-4-8-18/h5-6,9,13-14H,2-4,7-8,10H2,1H3,(H,17,20)