[3-(azepan-1-ylsulfonyl)phenyl]-[4-(6-methyl-2-propan-2-yl-pyrimidin-4-yl)piperazin-1-yl]methanone

Systemtic Name: [3-(azepan-1-ylsulfonyl)phenyl]-[4-(6-methyl-2-propan-2-yl-pyrimidin-4-yl)piperazin-1-yl]methanone Openeye Name: [3-(azepan-1-ylsulfonyl)phenyl]-[4-(2-isopropyl-6-methyl-pyrimidin-4-yl)piperazin-1-yl]methanone CAS Name: [3-(1-azepanylsulfonyl)phenyl]-[4-(6-methyl-2-propan-2-yl-4-pyrimidinyl)-1-piperazinyl]methanone IUPAC Name: [3-(azepan-1-ylsulfonyl)phenyl]-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]methanone Traditional Name: [3-(azepan-1-ylsulfonyl)phenyl]-[4-(2-isopropyl-6-methyl-pyrimidin-4-yl)piperazino]methanone Formula: C25H35N5O3S MolecularWeight: 485.6421

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)C(C)C)N2CCN(CC2)C(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

CC1=CC(=NC(=N1)C(C)C)N2CCN(CC2)C(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C25H35N5O3S/c1-19(2)24-26-20(3)17-23(27-24)28-13-15-29(16-14-28)25(31)21-9-8-10-22(18-21)34(32,33)30-11-6-4-5-7-12-30/h8-10,17-19H,4-7,11-16H2,1-3H3