N-[1-(4-methoxyphenyl)-3-methyl-butyl]-1-[(2-methylphenyl)methylsulfonyl]piperidine-4-carboxamide

Systemtic Name: N-[1-(4-methoxyphenyl)-3-methyl-butyl]-1-[(2-methylphenyl)methylsulfonyl]piperidine-4-carboxamide Openeye Name: N-[1-(4-methoxyphenyl)-3-methyl-butyl]-1-(o-tolylmethylsulfonyl)piperidine-4-carboxamide CAS Name: N-[1-(4-methoxyphenyl)-3-methylbutyl]-1-[(2-methylphenyl)methylsulfonyl]-4-piperidinecarboxamide IUPAC Name: N-[1-(4-methoxyphenyl)-3-methylbutyl]-1-[(2-methylphenyl)methylsulfonyl]piperidine-4-carboxamide Traditional Name: N-[1-(4-methoxyphenyl)-3-methyl-butyl]-1-(2-methylbenzyl)sulfonyl-isonipecotamide Formula: C26H36N2O4S MolecularWeight: 472.64004

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CS(=O)(=O)N2CCC(CC2)C(=O)NC(CC(C)C)C3=CC=C(C=C3)OC

Isomeric SMILES

CC1=CC=CC=C1CS(=O)(=O)N2CCC(CC2)C(=O)NC(CC(C)C)C3=CC=C(C=C3)OC

InChI

InChI=1S/C26H36N2O4S/c1-19(2)17-25(21-9-11-24(32-4)12-10-21)27-26(29)22-13-15-28(16-14-22)33(30,31)18-23-8-6-5-7-20(23)3/h5-12,19,22,25H,13-18H2,1-4H3,(H,27,29)