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

Systemtic Name: 1-(2-methyl-5-nitro-phenyl)sulfonyl-N-(2-phenoxyethyl)piperidine-4-carboxamide Openeye Name: 1-(2-methyl-5-nitro-phenyl)sulfonyl-N-(2-phenoxyethyl)piperidine-4-carboxamide CAS Name: 1-(2-methyl-5-nitrophenyl)sulfonyl-N-(2-phenoxyethyl)-4-piperidinecarboxamide IUPAC Name: 1-(2-methyl-5-nitrophenyl)sulfonyl-N-(2-phenoxyethyl)piperidine-4-carboxamide Traditional Name: 1-(2-methyl-5-nitro-phenyl)sulfonyl-N-(2-phenoxyethyl)isonipecotamide Formula: C21H25N3O6S MolecularWeight: 447.5047

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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)NCCOC3=CC=CC=C3

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCC(CC2)C(=O)NCCOC3=CC=CC=C3

InChI

InChI=1S/C21H25N3O6S/c1-16-7-8-18(24(26)27)15-20(16)31(28,29)23-12-9-17(10-13-23)21(25)22-11-14-30-19-5-3-2-4-6-19/h2-8,15,17H,9-14H2,1H3,(H,22,25)