2-[2-[[3-(azepan-1-ylsulfonyl)phenyl]amino]-2-oxidanylidene-ethyl]sulfanyl-N-(4-methoxyphenyl)ethanamide

Systemtic Name: 2-[2-[[3-(azepan-1-ylsulfonyl)phenyl]amino]-2-oxidanylidene-ethyl]sulfanyl-N-(4-methoxyphenyl)ethanamide Openeye Name: 2-[2-[3-(azepan-1-ylsulfonyl)anilino]-2-oxo-ethyl]sulfanyl-N-(4-methoxyphenyl)acetamide CAS Name: 2-[[2-[3-(1-azepanylsulfonyl)anilino]-2-oxoethyl]thio]-N-(4-methoxyphenyl)acetamide IUPAC Name: 2-[2-[3-(azepan-1-ylsulfonyl)anilino]-2-oxoethyl]sulfanyl-N-(4-methoxyphenyl)acetamide Traditional Name: 2-[[2-[3-(azepan-1-ylsulfonyl)anilino]-2-keto-ethyl]thio]-N-(4-methoxyphenyl)acetamide Formula: C23H29N3O5S2 MolecularWeight: 491.62346

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=O)CSCC(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

COC1=CC=C(C=C1)NC(=O)CSCC(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C23H29N3O5S2/c1-31-20-11-9-18(10-12-20)24-22(27)16-32-17-23(28)25-19-7-6-8-21(15-19)33(29,30)26-13-4-2-3-5-14-26/h6-12,15H,2-5,13-14,16-17H2,1H3,(H,24,27)(H,25,28)