4-(3-methylphenoxy)-2-[4-[2-(phenylsulfonyl)ethyl]piperazin-1-yl]pyrimidine

Systemtic Name: 4-(3-methylphenoxy)-2-[4-[2-(phenylsulfonyl)ethyl]piperazin-1-yl]pyrimidine Openeye Name: 2-[4-[2-(benzenesulfonyl)ethyl]piperazin-1-yl]-4-(3-methylphenoxy)pyrimidine CAS Name: 2-[4-[2-(benzenesulfonyl)ethyl]-1-piperazinyl]-4-(3-methylphenoxy)pyrimidine IUPAC Name: 2-[4-[2-(benzenesulfonyl)ethyl]piperazin-1-yl]-4-(3-methylphenoxy)pyrimidine Traditional Name: 2-[4-(2-besylethyl)piperazino]-4-(3-methylphenoxy)pyrimidine Formula: C23H26N4O3S MolecularWeight: 438.54254

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OC2=NC(=NC=C2)N3CCN(CC3)CCS(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CC1=CC(=CC=C1)OC2=NC(=NC=C2)N3CCN(CC3)CCS(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C23H26N4O3S/c1-19-6-5-7-20(18-19)30-22-10-11-24-23(25-22)27-14-12-26(13-15-27)16-17-31(28,29)21-8-3-2-4-9-21/h2-11,18H,12-17H2,1H3