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

Systemtic Name: N-[[4-(ethoxymethyl)phenyl]methyl]-1-[4-(methylamino)-3-nitro-phenyl]sulfonyl-piperidine-4-carboxamide Openeye Name: N-[[4-(ethoxymethyl)phenyl]methyl]-1-[4-(methylamino)-3-nitro-phenyl]sulfonyl-piperidine-4-carboxamide CAS Name: N-[[4-(ethoxymethyl)phenyl]methyl]-1-[4-(methylamino)-3-nitrophenyl]sulfonyl-4-piperidinecarboxamide IUPAC Name: N-[[4-(ethoxymethyl)phenyl]methyl]-1-[4-(methylamino)-3-nitrophenyl]sulfonylpiperidine-4-carboxamide Traditional Name: N-[4-(ethoxymethyl)benzyl]-1-[4-(methylamino)-3-nitro-phenyl]sulfonyl-isonipecotamide Formula: C23H30N4O6S MolecularWeight: 490.5725

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Descriptors Computed from Structure

Canonical SMILES:

CCOCC1=CC=C(C=C1)CNC(=O)C2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)NC)[N+](=O)[O-]

Isomeric SMILES

CCOCC1=CC=C(C=C1)CNC(=O)C2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)NC)[N+](=O)[O-]

InChI

InChI=1S/C23H30N4O6S/c1-3-33-16-18-6-4-17(5-7-18)15-25-23(28)19-10-12-26(13-11-19)34(31,32)20-8-9-21(24-2)22(14-20)27(29)30/h4-9,14,19,24H,3,10-13,15-16H2,1-2H3,(H,25,28)