N-[1-(4-methoxyphenyl)-3-methyl-butyl]-1-(3-phenylpropylsulfonyl)piperidine-4-carboxamide

Systemtic Name: N-[1-(4-methoxyphenyl)-3-methyl-butyl]-1-(3-phenylpropylsulfonyl)piperidine-4-carboxamide Openeye Name: N-[1-(4-methoxyphenyl)-3-methyl-butyl]-1-(3-phenylpropylsulfonyl)piperidine-4-carboxamide CAS Name: N-[1-(4-methoxyphenyl)-3-methylbutyl]-1-(3-phenylpropylsulfonyl)-4-piperidinecarboxamide IUPAC Name: N-[1-(4-methoxyphenyl)-3-methylbutyl]-1-(3-phenylpropylsulfonyl)piperidine-4-carboxamide Traditional Name: N-[1-(4-methoxyphenyl)-3-methyl-butyl]-1-(3-phenylpropylsulfonyl)isonipecotamide Formula: C27H38N2O4S MolecularWeight: 486.66662

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C1=CC=C(C=C1)OC)NC(=O)C2CCN(CC2)S(=O)(=O)CCCC3=CC=CC=C3

Isomeric SMILES

CC(C)CC(C1=CC=C(C=C1)OC)NC(=O)C2CCN(CC2)S(=O)(=O)CCCC3=CC=CC=C3

InChI

InChI=1S/C27H38N2O4S/c1-21(2)20-26(23-11-13-25(33-3)14-12-23)28-27(30)24-15-17-29(18-16-24)34(31,32)19-7-10-22-8-5-4-6-9-22/h4-6,8-9,11-14,21,24,26H,7,10,15-20H2,1-3H3,(H,28,30)