[4-(azepan-1-ylsulfonyl)phenyl]-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]methanone

Systemtic Name: [4-(azepan-1-ylsulfonyl)phenyl]-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]methanone Openeye Name: [4-(azepan-1-ylsulfonyl)phenyl]-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]methanone CAS Name: [4-(1-azepanylsulfonyl)phenyl]-[4-(4,6-dimethyl-2-pyrimidinyl)-1-piperazinyl]methanone IUPAC Name: [4-(azepan-1-ylsulfonyl)phenyl]-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]methanone Traditional Name: [4-(azepan-1-ylsulfonyl)phenyl]-[4-(4,6-dimethylpyrimidin-2-yl)piperazino]methanone Formula: C23H31N5O3S MolecularWeight: 457.58894

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H31N5O3S/c1-18-17-19(2)25-23(24-18)27-15-13-26(14-16-27)22(29)20-7-9-21(10-8-20)32(30,31)28-11-5-3-4-6-12-28/h7-10,17H,3-6,11-16H2,1-2H3