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

Systemtic Name: N-[(3-methoxyphenyl)methyl]-1-(2-methyl-5-nitro-phenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-[(3-methoxyphenyl)methyl]-1-(2-methyl-5-nitro-phenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-[(3-methoxyphenyl)methyl]-1-(2-methyl-5-nitrophenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-[(3-methoxyphenyl)methyl]-1-(2-methyl-5-nitrophenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-m-anisyl-1-(2-methyl-5-nitro-phenyl)sulfonyl-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)NCC3=CC(=CC=C3)OC

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCC(CC2)C(=O)NCC3=CC(=CC=C3)OC

InChI

InChI=1S/C21H25N3O6S/c1-15-6-7-18(24(26)27)13-20(15)31(28,29)23-10-8-17(9-11-23)21(25)22-14-16-4-3-5-19(12-16)30-2/h3-7,12-13,17H,8-11,14H2,1-2H3,(H,22,25)