[3-[4-[2-(azepan-1-yl)ethoxy]phenyl]carbonyl-2-phenyl-1-benzothiophen-6-yl] sulfamate

Systemtic Name: [3-[4-[2-(azepan-1-yl)ethoxy]phenyl]carbonyl-2-phenyl-1-benzothiophen-6-yl] sulfamate Openeye Name: [3-[4-[2-(azepan-1-yl)ethoxy]benzoyl]-2-phenyl-benzothiophen-6-yl] sulfamate CAS Name: sulfamic acid [3-[[4-[2-(1-azepanyl)ethoxy]phenyl]-oxomethyl]-2-phenyl-1-benzothiophen-6-yl] ester IUPAC Name: [3-[4-[2-(azepan-1-yl)ethoxy]benzoyl]-2-phenyl-1-benzothiophen-6-yl] sulfamate Traditional Name: sulfamic acid [3-[4-[2-(azepan-1-yl)ethoxy]benzoyl]-2-phenyl-benzothiophen-6-yl] ester Formula: C29H30N2O5S2 MolecularWeight: 550.6889

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)CCOC2=CC=C(C=C2)C(=O)C3=C(SC4=C3C=CC(=C4)OS(=O)(=O)N)C5=CC=CC=C5

Isomeric SMILES

C1CCCN(CC1)CCOC2=CC=C(C=C2)C(=O)C3=C(SC4=C3C=CC(=C4)OS(=O)(=O)N)C5=CC=CC=C5

InChI

InChI=1S/C29H30N2O5S2/c30-38(33,34)36-24-14-15-25-26(20-24)37-29(22-8-4-3-5-9-22)27(25)28(32)21-10-12-23(13-11-21)35-19-18-31-16-6-1-2-7-17-31/h3-5,8-15,20H,1-2,6-7,16-19H2,(H2,30,33,34)