2-[4-[[3-(1-thiophen-2-ylsulfonylpiperidin-4-yl)oxyphenyl]methyl]piperazin-1-yl]pyrimidine

Systemtic Name: 2-[4-[[3-(1-thiophen-2-ylsulfonylpiperidin-4-yl)oxyphenyl]methyl]piperazin-1-yl]pyrimidine Openeye Name: 2-[4-[[3-[[1-(2-thienylsulfonyl)-4-piperidyl]oxy]phenyl]methyl]piperazin-1-yl]pyrimidine CAS Name: 2-[4-[[3-[(1-thiophen-2-ylsulfonyl-4-piperidinyl)oxy]phenyl]methyl]-1-piperazinyl]pyrimidine IUPAC Name: 2-[4-[[3-(1-thiophen-2-ylsulfonylpiperidin-4-yl)oxyphenyl]methyl]piperazin-1-yl]pyrimidine Traditional Name: 2-[4-[3-[[1-(2-thienylsulfonyl)-4-piperidyl]oxy]benzyl]piperazino]pyrimidine Formula: C24H29N5O3S2 MolecularWeight: 499.64876

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1OC2=CC=CC(=C2)CN3CCN(CC3)C4=NC=CC=N4)S(=O)(=O)C5=CC=CS5

Isomeric SMILES

C1CN(CCC1OC2=CC=CC(=C2)CN3CCN(CC3)C4=NC=CC=N4)S(=O)(=O)C5=CC=CS5

InChI

InChI=1S/C24H29N5O3S2/c30-34(31,23-6-2-17-33-23)29-11-7-21(8-12-29)32-22-5-1-4-20(18-22)19-27-13-15-28(16-14-27)24-25-9-3-10-26-24/h1-6,9-10,17-18,21H,7-8,11-16,19H2