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

Systemtic Name: N-[(2-methoxyphenyl)methyl]-1-[4-(methylamino)-3-nitro-phenyl]sulfonyl-piperidine-4-carboxamide Openeye Name: N-[(2-methoxyphenyl)methyl]-1-[4-(methylamino)-3-nitro-phenyl]sulfonyl-piperidine-4-carboxamide CAS Name: N-[(2-methoxyphenyl)methyl]-1-[4-(methylamino)-3-nitrophenyl]sulfonyl-4-piperidinecarboxamide IUPAC Name: N-[(2-methoxyphenyl)methyl]-1-[4-(methylamino)-3-nitrophenyl]sulfonylpiperidine-4-carboxamide Traditional Name: 1-[4-(methylamino)-3-nitro-phenyl]sulfonyl-N-o-anisyl-isonipecotamide Formula: C21H26N4O6S MolecularWeight: 462.51934

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NCC3=CC=CC=C3OC)[N+](=O)[O-]

Isomeric SMILES

CNC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NCC3=CC=CC=C3OC)[N+](=O)[O-]

InChI

InChI=1S/C21H26N4O6S/c1-22-18-8-7-17(13-19(18)25(27)28)32(29,30)24-11-9-15(10-12-24)21(26)23-14-16-5-3-4-6-20(16)31-2/h3-8,13,15,22H,9-12,14H2,1-2H3,(H,23,26)