1-[4-[2-methoxy-5-[4-(phenylmethyl)piperidin-1-yl]sulfonyl-phenyl]piperazin-1-yl]-2-thiophen-2-yl-ethanone

Systemtic Name: 1-[4-[2-methoxy-5-[4-(phenylmethyl)piperidin-1-yl]sulfonyl-phenyl]piperazin-1-yl]-2-thiophen-2-yl-ethanone Openeye Name: 1-[4-[5-[(4-benzyl-1-piperidyl)sulfonyl]-2-methoxy-phenyl]piperazin-1-yl]-2-(2-thienyl)ethanone CAS Name: 1-[4-[2-methoxy-5-[[4-(phenylmethyl)-1-piperidinyl]sulfonyl]phenyl]-1-piperazinyl]-2-thiophen-2-ylethanone IUPAC Name: 1-[4-[5-(4-benzylpiperidin-1-yl)sulfonyl-2-methoxyphenyl]piperazin-1-yl]-2-thiophen-2-ylethanone Traditional Name: 1-[4-[5-(4-benzylpiperidino)sulfonyl-2-methoxy-phenyl]piperazino]-2-(2-thienyl)ethanone Formula: C29H35N3O4S2 MolecularWeight: 553.7359

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)CC3=CC=CC=C3)N4CCN(CC4)C(=O)CC5=CC=CS5

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)CC3=CC=CC=C3)N4CCN(CC4)C(=O)CC5=CC=CS5

InChI

InChI=1S/C29H35N3O4S2/c1-36-28-10-9-26(38(34,35)32-13-11-24(12-14-32)20-23-6-3-2-4-7-23)22-27(28)30-15-17-31(18-16-30)29(33)21-25-8-5-19-37-25/h2-10,19,22,24H,11-18,20-21H2,1H3