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

Systemtic Name: N-[4-(methylcarbamoylamino)phenyl]-1-(2-methyl-5-nitro-phenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-[4-(methylcarbamoylamino)phenyl]-1-(2-methyl-5-nitro-phenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-[4-(methylcarbamoylamino)phenyl]-1-(2-methyl-5-nitrophenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-[4-(methylcarbamoylamino)phenyl]-1-(2-methyl-5-nitrophenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-[4-(methylcarbamoylamino)phenyl]-1-(2-methyl-5-nitro-phenyl)sulfonyl-isonipecotamide Formula: C21H25N5O6S MolecularWeight: 475.5181

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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)NC3=CC=C(C=C3)NC(=O)NC

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCC(CC2)C(=O)NC3=CC=C(C=C3)NC(=O)NC

InChI

InChI=1S/C21H25N5O6S/c1-14-3-8-18(26(29)30)13-19(14)33(31,32)25-11-9-15(10-12-25)20(27)23-16-4-6-17(7-5-16)24-21(28)22-2/h3-8,13,15H,9-12H2,1-2H3,(H,23,27)(H2,22,24,28)