N-methyl-N-[(3-nitrophenyl)methyl]-1-(4-propan-2-ylphenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-methyl-N-[(3-nitrophenyl)methyl]-1-(4-propan-2-ylphenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: 1-(4-isopropylphenyl)sulfonyl-N-methyl-N-[(3-nitrophenyl)methyl]piperidine-4-carboxamide CAS Name: N-methyl-N-[(3-nitrophenyl)methyl]-1-(4-propan-2-ylphenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-methyl-N-[(3-nitrophenyl)methyl]-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-methyl-N-(3-nitrobenzyl)-1-p-cumenylsulfonyl-isonipecotamide Formula: C23H29N3O5S MolecularWeight: 459.55846

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29N3O5S/c1-17(2)19-7-9-22(10-8-19)32(30,31)25-13-11-20(12-14-25)23(27)24(3)16-18-5-4-6-21(15-18)26(28)29/h4-10,15,17,20H,11-14,16H2,1-3H3