N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(6-phenylpyrimidin-4-yl)sulfanyl-ethanamide

Systemtic Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(6-phenylpyrimidin-4-yl)sulfanyl-ethanamide Openeye Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(6-phenylpyrimidin-4-yl)sulfanyl-acetamide CAS Name: N-[4-(1-azepanylsulfonyl)phenyl]-2-[(6-phenyl-4-pyrimidinyl)thio]acetamide IUPAC Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(6-phenylpyrimidin-4-yl)sulfanylacetamide Traditional Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-[(6-phenylpyrimidin-4-yl)thio]acetamide Formula: C24H26N4O3S2 MolecularWeight: 482.61824

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CSC3=NC=NC(=C3)C4=CC=CC=C4

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CSC3=NC=NC(=C3)C4=CC=CC=C4

InChI

InChI=1S/C24H26N4O3S2/c29-23(17-32-24-16-22(25-18-26-24)19-8-4-3-5-9-19)27-20-10-12-21(13-11-20)33(30,31)28-14-6-1-2-7-15-28/h3-5,8-13,16,18H,1-2,6-7,14-15,17H2,(H,27,29)