N-(2-diethylaminoethyl)-1-(2-methyl-5-nitro-phenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-(2-diethylaminoethyl)-1-(2-methyl-5-nitro-phenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-(2-diethylaminoethyl)-1-(2-methyl-5-nitro-phenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-(2-diethylaminoethyl)-1-(2-methyl-5-nitrophenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-(2-diethylaminoethyl)-1-(2-methyl-5-nitrophenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-(2-diethylaminoethyl)-1-(2-methyl-5-nitro-phenyl)sulfonyl-isonipecotamide Formula: C19H30N4O5S MolecularWeight: 426.5303

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCNC(=O)C1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)[N+](=O)[O-])C

Isomeric SMILES

CCN(CC)CCNC(=O)C1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)[N+](=O)[O-])C

InChI

InChI=1S/C19H30N4O5S/c1-4-21(5-2)13-10-20-19(24)16-8-11-22(12-9-16)29(27,28)18-14-17(23(25)26)7-6-15(18)3/h6-7,14,16H,4-5,8-13H2,1-3H3,(H,20,24)