N-[1-(3,4-diethoxyphenyl)ethyl]-1-[(3-methylphenyl)methylsulfonyl]piperidine-4-carboxamide

Systemtic Name: N-[1-(3,4-diethoxyphenyl)ethyl]-1-[(3-methylphenyl)methylsulfonyl]piperidine-4-carboxamide Openeye Name: N-[1-(3,4-diethoxyphenyl)ethyl]-1-(m-tolylmethylsulfonyl)piperidine-4-carboxamide CAS Name: N-[1-(3,4-diethoxyphenyl)ethyl]-1-[(3-methylphenyl)methylsulfonyl]-4-piperidinecarboxamide IUPAC Name: N-[1-(3,4-diethoxyphenyl)ethyl]-1-[(3-methylphenyl)methylsulfonyl]piperidine-4-carboxamide Traditional Name: N-[1-(3,4-diethoxyphenyl)ethyl]-1-(3-methylbenzyl)sulfonyl-isonipecotamide Formula: C26H36N2O5S MolecularWeight: 488.63944

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(C)NC(=O)C2CCN(CC2)S(=O)(=O)CC3=CC=CC(=C3)C)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(C)NC(=O)C2CCN(CC2)S(=O)(=O)CC3=CC=CC(=C3)C)OCC

InChI

InChI=1S/C26H36N2O5S/c1-5-32-24-11-10-23(17-25(24)33-6-2)20(4)27-26(29)22-12-14-28(15-13-22)34(30,31)18-21-9-7-8-19(3)16-21/h7-11,16-17,20,22H,5-6,12-15,18H2,1-4H3,(H,27,29)