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

Systemtic Name: N-(1-cyclopropylethyl)-1-(2-methyl-5-nitro-phenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-(1-cyclopropylethyl)-1-(2-methyl-5-nitro-phenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-(1-cyclopropylethyl)-1-(2-methyl-5-nitrophenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-(1-cyclopropylethyl)-1-(2-methyl-5-nitrophenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-(1-cyclopropylethyl)-1-(2-methyl-5-nitro-phenyl)sulfonyl-isonipecotamide Formula: C18H25N3O5S MolecularWeight: 395.4732

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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)NC(C)C3CC3

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCC(CC2)C(=O)NC(C)C3CC3

InChI

InChI=1S/C18H25N3O5S/c1-12-3-6-16(21(23)24)11-17(12)27(25,26)20-9-7-15(8-10-20)18(22)19-13(2)14-4-5-14/h3,6,11,13-15H,4-5,7-10H2,1-2H3,(H,19,22)