2-[7-(5-bromanylthiophen-2-yl)-1,1-bis(oxidanylidene)-4-(phenylmethyl)sulfonyl-1,4-thiazepan-7-yl]-N-(oxan-2-yloxy)ethanamide

Systemtic Name: 2-[7-(5-bromanylthiophen-2-yl)-1,1-bis(oxidanylidene)-4-(phenylmethyl)sulfonyl-1,4-thiazepan-7-yl]-N-(oxan-2-yloxy)ethanamide Openeye Name: 2-[4-benzylsulfonyl-7-(5-bromo-2-thienyl)-1,1-dioxo-1,4-thiazepan-7-yl]-N-tetrahydropyran-2-yloxy-acetamide CAS Name: 2-[7-(5-bromo-2-thiophenyl)-1,1-dioxo-4-(phenylmethyl)sulfonyl-1,4-thiazepan-7-yl]-N-(2-oxanyloxy)acetamide IUPAC Name: 2-[4-benzylsulfonyl-7-(5-bromothiophen-2-yl)-1,1-dioxo-1,4-thiazepan-7-yl]-N-(oxan-2-yloxy)acetamide Traditional Name: 2-[4-benzylsulfonyl-7-(5-bromo-2-thienyl)-1,1-diketo-1,4-thiazepan-7-yl]-N-tetrahydropyran-2-yloxy-acetamide Formula: C23H29BrN2O7S3 MolecularWeight: 621.58456

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Descriptors Computed from Structure

Canonical SMILES:

C1CCOC(C1)ONC(=O)CC2(CCN(CCS2(=O)=O)S(=O)(=O)CC3=CC=CC=C3)C4=CC=C(S4)Br

Isomeric SMILES

C1CCOC(C1)ONC(=O)CC2(CCN(CCS2(=O)=O)S(=O)(=O)CC3=CC=CC=C3)C4=CC=C(S4)Br

InChI

InChI=1S/C23H29BrN2O7S3/c24-20-10-9-19(34-20)23(16-21(27)25-33-22-8-4-5-14-32-22)11-12-26(13-15-35(23,28)29)36(30,31)17-18-6-2-1-3-7-18/h1-3,6-7,9-10,22H,4-5,8,11-17H2,(H,25,27)