4-[[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanylmethyl]-N-phenyl-benzamide

Systemtic Name: 4-[[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanylmethyl]-N-phenyl-benzamide Openeye Name: 4-[[5-(azepan-1-ylsulfonyl)-2-pyridyl]sulfanylmethyl]-N-phenyl-benzamide CAS Name: 4-[[[5-(1-azepanylsulfonyl)-2-pyridinyl]thio]methyl]-N-phenylbenzamide IUPAC Name: 4-[[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanylmethyl]-N-phenylbenzamide Traditional Name: 4-[[[5-(azepan-1-ylsulfonyl)-2-pyridyl]thio]methyl]-N-phenyl-benzamide Formula: C25H27N3O3S2 MolecularWeight: 481.63018

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CN=C(C=C2)SCC3=CC=C(C=C3)C(=O)NC4=CC=CC=C4

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CN=C(C=C2)SCC3=CC=C(C=C3)C(=O)NC4=CC=CC=C4

InChI

InChI=1S/C25H27N3O3S2/c29-25(27-22-8-4-3-5-9-22)21-12-10-20(11-13-21)19-32-24-15-14-23(18-26-24)33(30,31)28-16-6-1-2-7-17-28/h3-5,8-15,18H,1-2,6-7,16-17,19H2,(H,27,29)