N-[(4-tert-butylphenyl)methyl]-1-(2,4-dimethylphenyl)sulfonyl-N-methyl-piperidine-4-carboxamide

Systemtic Name: N-[(4-tert-butylphenyl)methyl]-1-(2,4-dimethylphenyl)sulfonyl-N-methyl-piperidine-4-carboxamide Openeye Name: N-[(4-tert-butylphenyl)methyl]-1-(2,4-dimethylphenyl)sulfonyl-N-methyl-piperidine-4-carboxamide CAS Name: N-[(4-tert-butylphenyl)methyl]-1-(2,4-dimethylphenyl)sulfonyl-N-methyl-4-piperidinecarboxamide IUPAC Name: N-[(4-tert-butylphenyl)methyl]-1-(2,4-dimethylphenyl)sulfonyl-N-methylpiperidine-4-carboxamide Traditional Name: N-(4-tert-butylbenzyl)-1-(2,4-dimethylphenyl)sulfonyl-N-methyl-isonipecotamide Formula: C26H36N2O3S MolecularWeight: 456.64064

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)N(C)CC3=CC=C(C=C3)C(C)(C)C)C

Isomeric SMILES

CC1=CC(=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)N(C)CC3=CC=C(C=C3)C(C)(C)C)C

InChI

InChI=1S/C26H36N2O3S/c1-19-7-12-24(20(2)17-19)32(30,31)28-15-13-22(14-16-28)25(29)27(6)18-21-8-10-23(11-9-21)26(3,4)5/h7-12,17,22H,13-16,18H2,1-6H3