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

Systemtic Name: N-[(4-tert-butylphenyl)methyl]-1-(2-cyanophenyl)sulfonyl-N-methyl-piperidine-4-carboxamide Openeye Name: N-[(4-tert-butylphenyl)methyl]-1-(2-cyanophenyl)sulfonyl-N-methyl-piperidine-4-carboxamide CAS Name: N-[(4-tert-butylphenyl)methyl]-1-(2-cyanophenyl)sulfonyl-N-methyl-4-piperidinecarboxamide IUPAC Name: N-[(4-tert-butylphenyl)methyl]-1-(2-cyanophenyl)sulfonyl-N-methylpiperidine-4-carboxamide Traditional Name: N-(4-tert-butylbenzyl)-1-(2-cyanophenyl)sulfonyl-N-methyl-isonipecotamide Formula: C25H31N3O3S MolecularWeight: 453.59694

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CN(C)C(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C#N

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CN(C)C(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C#N

InChI

InChI=1S/C25H31N3O3S/c1-25(2,3)22-11-9-19(10-12-22)18-27(4)24(29)20-13-15-28(16-14-20)32(30,31)23-8-6-5-7-21(23)17-26/h5-12,20H,13-16,18H2,1-4H3