4-methyl-2-[4-(4-phenoxyphenyl)sulfonylpiperazin-1-yl]-6-piperidin-1-yl-pyrimidine

Systemtic Name: 4-methyl-2-[4-(4-phenoxyphenyl)sulfonylpiperazin-1-yl]-6-piperidin-1-yl-pyrimidine Openeye Name: 4-methyl-2-[4-(4-phenoxyphenyl)sulfonylpiperazin-1-yl]-6-(1-piperidyl)pyrimidine CAS Name: 4-methyl-2-[4-(4-phenoxyphenyl)sulfonyl-1-piperazinyl]-6-(1-piperidinyl)pyrimidine IUPAC Name: 4-methyl-2-[4-(4-phenoxyphenyl)sulfonylpiperazin-1-yl]-6-piperidin-1-ylpyrimidine Traditional Name: 4-methyl-2-[4-(4-phenoxyphenyl)sulfonylpiperazino]-6-piperidino-pyrimidine Formula: C26H31N5O3S MolecularWeight: 493.62104

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)OC4=CC=CC=C4)N5CCCCC5

Isomeric SMILES

CC1=CC(=NC(=N1)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)OC4=CC=CC=C4)N5CCCCC5

InChI

InChI=1S/C26H31N5O3S/c1-21-20-25(29-14-6-3-7-15-29)28-26(27-21)30-16-18-31(19-17-30)35(32,33)24-12-10-23(11-13-24)34-22-8-4-2-5-9-22/h2,4-5,8-13,20H,3,6-7,14-19H2,1H3