N-[4-(azepan-1-ylsulfonyl)phenyl]-3-(2-methyl-6-phenyl-pyrimidin-4-yl)sulfanyl-propanamide

Systemtic Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-3-(2-methyl-6-phenyl-pyrimidin-4-yl)sulfanyl-propanamide Openeye Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-3-(2-methyl-6-phenyl-pyrimidin-4-yl)sulfanyl-propanamide CAS Name: N-[4-(1-azepanylsulfonyl)phenyl]-3-[(2-methyl-6-phenyl-4-pyrimidinyl)thio]propanamide IUPAC Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-3-(2-methyl-6-phenylpyrimidin-4-yl)sulfanylpropanamide Traditional Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-3-[(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)SCCC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3)C4=CC=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C26H30N4O3S2/c1-20-27-24(21-9-5-4-6-10-21)19-26(28-20)34-18-15-25(31)29-22-11-13-23(14-12-22)35(32,33)30-16-7-2-3-8-17-30/h4-6,9-14,19H,2-3,7-8,15-18H2,1H3,(H,29,31)