2-[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanyl-N-(4-methylphenyl)-2-phenyl-ethanamide

Systemtic Name: 2-[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanyl-N-(4-methylphenyl)-2-phenyl-ethanamide Openeye Name: 2-[[5-(azepan-1-ylsulfonyl)-2-pyridyl]sulfanyl]-2-phenyl-N-(p-tolyl)acetamide CAS Name: 2-[[5-(1-azepanylsulfonyl)-2-pyridinyl]thio]-N-(4-methylphenyl)-2-phenylacetamide IUPAC Name: 2-[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanyl-N-(4-methylphenyl)-2-phenylacetamide Traditional Name: 2-[[5-(azepan-1-ylsulfonyl)-2-pyridyl]thio]-2-phenyl-N-(p-tolyl)acetamide Formula: C26H29N3O3S2 MolecularWeight: 495.65676

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C(C2=CC=CC=C2)SC3=NC=C(C=C3)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)C(C2=CC=CC=C2)SC3=NC=C(C=C3)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C26H29N3O3S2/c1-20-11-13-22(14-12-20)28-26(30)25(21-9-5-4-6-10-21)33-24-16-15-23(19-27-24)34(31,32)29-17-7-2-3-8-18-29/h4-6,9-16,19,25H,2-3,7-8,17-18H2,1H3,(H,28,30)