N-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]-3-methylsulfonyl-N-(pyridin-3-ylmethyl)benzenesulfonamide

Systemtic Name: N-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]-3-methylsulfonyl-N-(pyridin-3-ylmethyl)benzenesulfonamide Openeye Name: N-[1-[2-(4-methoxyphenyl)ethyl]-4-piperidyl]-3-methylsulfonyl-N-(3-pyridylmethyl)benzenesulfonamide CAS Name: N-[1-[2-(4-methoxyphenyl)ethyl]-4-piperidinyl]-3-methylsulfonyl-N-(3-pyridinylmethyl)benzenesulfonamide IUPAC Name: N-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]-3-methylsulfonyl-N-(pyridin-3-ylmethyl)benzenesulfonamide Traditional Name: 3-mesyl-N-[1-[2-(4-methoxyphenyl)ethyl]-4-piperidyl]-N-(3-pyridylmethyl)benzenesulfonamide Formula: C27H33N3O5S2 MolecularWeight: 543.69802

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CCN2CCC(CC2)N(CC3=CN=CC=C3)S(=O)(=O)C4=CC=CC(=C4)S(=O)(=O)C

Isomeric SMILES

COC1=CC=C(C=C1)CCN2CCC(CC2)N(CC3=CN=CC=C3)S(=O)(=O)C4=CC=CC(=C4)S(=O)(=O)C

InChI

InChI=1S/C27H33N3O5S2/c1-35-25-10-8-22(9-11-25)12-16-29-17-13-24(14-18-29)30(21-23-5-4-15-28-20-23)37(33,34)27-7-3-6-26(19-27)36(2,31)32/h3-11,15,19-20,24H,12-14,16-18,21H2,1-2H3