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

Systemtic Name: N-[3-(cyclopropylmethoxy)propyl]-1-(2-methyl-5-nitro-phenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-[3-(cyclopropylmethoxy)propyl]-1-(2-methyl-5-nitro-phenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-[3-(cyclopropylmethoxy)propyl]-1-(2-methyl-5-nitrophenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-[3-(cyclopropylmethoxy)propyl]-1-(2-methyl-5-nitrophenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-[3-(cyclopropylmethoxy)propyl]-1-(2-methyl-5-nitro-phenyl)sulfonyl-isonipecotamide Formula: C20H29N3O6S MolecularWeight: 439.52576

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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)NCCCOCC3CC3

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCC(CC2)C(=O)NCCCOCC3CC3

InChI

InChI=1S/C20H29N3O6S/c1-15-3-6-18(23(25)26)13-19(15)30(27,28)22-10-7-17(8-11-22)20(24)21-9-2-12-29-14-16-4-5-16/h3,6,13,16-17H,2,4-5,7-12,14H2,1H3,(H,21,24)