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

Systemtic Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(6-phenylpyrimidin-4-yl)sulfanyl-butanamide Openeye Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(6-phenylpyrimidin-4-yl)sulfanyl-butanamide CAS Name: N-[4-(1-azepanylsulfonyl)phenyl]-2-[(6-phenyl-4-pyrimidinyl)thio]butanamide IUPAC Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(6-phenylpyrimidin-4-yl)sulfanylbutanamide Traditional Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-[(6-phenylpyrimidin-4-yl)thio]butyramide Formula: C26H30N4O3S2 MolecularWeight: 510.6714

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCCCC2)SC3=NC=NC(=C3)C4=CC=CC=C4

Isomeric SMILES

CCC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCCCC2)SC3=NC=NC(=C3)C4=CC=CC=C4

InChI

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