1-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-4-(3-methylsulfonylphenyl)sulfonyl-1,4-diazepane

Systemtic Name: 1-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-4-(3-methylsulfonylphenyl)sulfonyl-1,4-diazepane Openeye Name: 1-[1-(4,6-dimethylpyrimidin-2-yl)-4-piperidyl]-4-(3-methylsulfonylphenyl)sulfonyl-1,4-diazepane CAS Name: 1-[1-(4,6-dimethyl-2-pyrimidinyl)-4-piperidinyl]-4-(3-methylsulfonylphenyl)sulfonyl-1,4-diazepane IUPAC Name: 1-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-4-(3-methylsulfonylphenyl)sulfonyl-1,4-diazepane Traditional Name: 1-[1-(4,6-dimethylpyrimidin-2-yl)-4-piperidyl]-4-(3-mesylphenyl)sulfonyl-1,4-diazepane Formula: C23H33N5O4S2 MolecularWeight: 507.66922

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)N2CCC(CC2)N3CCCN(CC3)S(=O)(=O)C4=CC=CC(=C4)S(=O)(=O)C)C

Isomeric SMILES

CC1=CC(=NC(=N1)N2CCC(CC2)N3CCCN(CC3)S(=O)(=O)C4=CC=CC(=C4)S(=O)(=O)C)C

InChI

InChI=1S/C23H33N5O4S2/c1-18-16-19(2)25-23(24-18)27-12-8-20(9-13-27)26-10-5-11-28(15-14-26)34(31,32)22-7-4-6-21(17-22)33(3,29)30/h4,6-7,16-17,20H,5,8-15H2,1-3H3