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

Systemtic Name: 4-methyl-2-[4-(4-phenoxyphenyl)sulfonylpiperazin-1-yl]-6-pyrrolidin-1-yl-pyrimidine Openeye Name: 4-methyl-2-[4-(4-phenoxyphenyl)sulfonylpiperazin-1-yl]-6-pyrrolidin-1-yl-pyrimidine CAS Name: 4-methyl-2-[4-(4-phenoxyphenyl)sulfonyl-1-piperazinyl]-6-(1-pyrrolidinyl)pyrimidine IUPAC Name: 4-methyl-2-[4-(4-phenoxyphenyl)sulfonylpiperazin-1-yl]-6-pyrrolidin-1-ylpyrimidine Traditional Name: 4-methyl-2-[4-(4-phenoxyphenyl)sulfonylpiperazino]-6-pyrrolidino-pyrimidine Formula: C25H29N5O3S MolecularWeight: 479.59446

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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)N5CCCC5

Isomeric SMILES

CC1=CC(=NC(=N1)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)OC4=CC=CC=C4)N5CCCC5

InChI

InChI=1S/C25H29N5O3S/c1-20-19-24(28-13-5-6-14-28)27-25(26-20)29-15-17-30(18-16-29)34(31,32)23-11-9-22(10-12-23)33-21-7-3-2-4-8-21/h2-4,7-12,19H,5-6,13-18H2,1H3