1-(3-chloranyl-4-methyl-5-nitro-phenyl)sulfonyl-N-[3-(2-methylpropoxy)propyl]piperidine-4-carboxamide

Systemtic Name: 1-(3-chloranyl-4-methyl-5-nitro-phenyl)sulfonyl-N-[3-(2-methylpropoxy)propyl]piperidine-4-carboxamide Openeye Name: 1-(3-chloro-4-methyl-5-nitro-phenyl)sulfonyl-N-(3-isobutoxypropyl)piperidine-4-carboxamide CAS Name: 1-(3-chloro-4-methyl-5-nitrophenyl)sulfonyl-N-[3-(2-methylpropoxy)propyl]-4-piperidinecarboxamide IUPAC Name: 1-(3-chloro-4-methyl-5-nitrophenyl)sulfonyl-N-[3-(2-methylpropoxy)propyl]piperidine-4-carboxamide Traditional Name: 1-(3-chloro-4-methyl-5-nitro-phenyl)sulfonyl-N-(3-isobutoxypropyl)isonipecotamide Formula: C20H30ClN3O6S MolecularWeight: 475.9867

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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)NCCCOCC(C)C)Cl

Isomeric SMILES

CC1=C(C=C(C=C1[N+](=O)[O-])S(=O)(=O)N2CCC(CC2)C(=O)NCCCOCC(C)C)Cl

InChI

InChI=1S/C20H30ClN3O6S/c1-14(2)13-30-10-4-7-22-20(25)16-5-8-23(9-6-16)31(28,29)17-11-18(21)15(3)19(12-17)24(26)27/h11-12,14,16H,4-10,13H2,1-3H3,(H,22,25)