N-[3-(azepan-1-ylsulfonyl)phenyl]-2-(2-phenoxyethylsulfanyl)ethanamide

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-2-(2-phenoxyethylsulfanyl)ethanamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-2-(2-phenoxyethylsulfanyl)acetamide CAS Name: N-[3-(1-azepanylsulfonyl)phenyl]-2-(2-phenoxyethylthio)acetamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-2-(2-phenoxyethylsulfanyl)acetamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-2-(2-phenoxyethylthio)acetamide Formula: C22H28N2O4S2 MolecularWeight: 448.59872

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)CSCCOC3=CC=CC=C3

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)CSCCOC3=CC=CC=C3

InChI

InChI=1S/C22H28N2O4S2/c25-22(18-29-16-15-28-20-10-4-3-5-11-20)23-19-9-8-12-21(17-19)30(26,27)24-13-6-1-2-7-14-24/h3-5,8-12,17H,1-2,6-7,13-16,18H2,(H,23,25)