N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(2-methyl-6-phenyl-pyrimidin-4-yl)sulfanyl-propanamide

Systemtic Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(2-methyl-6-phenyl-pyrimidin-4-yl)sulfanyl-propanamide Openeye Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(2-methyl-6-phenyl-pyrimidin-4-yl)sulfanyl-propanamide CAS Name: N-[4-(1-azepanylsulfonyl)phenyl]-2-[(2-methyl-6-phenyl-4-pyrimidinyl)thio]propanamide IUPAC Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(2-methyl-6-phenylpyrimidin-4-yl)sulfanylpropanamide Traditional Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-[(2-methyl-6-phenyl-pyrimidin-4-yl)thio]propionamide Formula: C26H30N4O3S2 MolecularWeight: 510.6714

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC(=N1)SC(C)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3)C4=CC=CC=C4

Isomeric SMILES

CC1=NC(=CC(=N1)SC(C)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3)C4=CC=CC=C4

InChI

InChI=1S/C26H30N4O3S2/c1-19(34-25-18-24(27-20(2)28-25)21-10-6-5-7-11-21)26(31)29-22-12-14-23(15-13-22)35(32,33)30-16-8-3-4-9-17-30/h5-7,10-15,18-19H,3-4,8-9,16-17H2,1-2H3,(H,29,31)