N-methyl-N-[(3-nitrophenyl)methyl]-1-(2,4,6-trimethylphenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-methyl-N-[(3-nitrophenyl)methyl]-1-(2,4,6-trimethylphenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-methyl-N-[(3-nitrophenyl)methyl]-1-(2,4,6-trimethylphenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-methyl-N-[(3-nitrophenyl)methyl]-1-(2,4,6-trimethylphenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-methyl-N-[(3-nitrophenyl)methyl]-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide Traditional Name: 1-mesitylsulfonyl-N-methyl-N-(3-nitrobenzyl)isonipecotamide Formula: C23H29N3O5S MolecularWeight: 459.55846

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CCC(CC2)C(=O)N(C)CC3=CC(=CC=C3)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CCC(CC2)C(=O)N(C)CC3=CC(=CC=C3)[N+](=O)[O-])C

InChI

InChI=1S/C23H29N3O5S/c1-16-12-17(2)22(18(3)13-16)32(30,31)25-10-8-20(9-11-25)23(27)24(4)15-19-6-5-7-21(14-19)26(28)29/h5-7,12-14,20H,8-11,15H2,1-4H3