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

Systemtic Name: N-[(2-methoxyphenyl)methyl]-1-(2-methyl-5-nitro-phenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-[(2-methoxyphenyl)methyl]-1-(2-methyl-5-nitro-phenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-[(2-methoxyphenyl)methyl]-1-(2-methyl-5-nitrophenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-[(2-methoxyphenyl)methyl]-1-(2-methyl-5-nitrophenyl)sulfonylpiperidine-4-carboxamide Traditional Name: 1-(2-methyl-5-nitro-phenyl)sulfonyl-N-o-anisyl-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=C3OC

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCC(CC2)C(=O)NCC3=CC=CC=C3OC

InChI

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