[2-(2-methylphenyl)-3-[4-(2-piperidin-1-ylethoxy)phenyl]carbonyl-1-benzothiophen-6-yl] sulfamate

Systemtic Name: [2-(2-methylphenyl)-3-[4-(2-piperidin-1-ylethoxy)phenyl]carbonyl-1-benzothiophen-6-yl] sulfamate Openeye Name: [2-(o-tolyl)-3-[4-[2-(1-piperidyl)ethoxy]benzoyl]benzothiophen-6-yl] sulfamate CAS Name: sulfamic acid [2-(2-methylphenyl)-3-[oxo-[4-[2-(1-piperidinyl)ethoxy]phenyl]methyl]-1-benzothiophen-6-yl] ester IUPAC Name: [2-(2-methylphenyl)-3-[4-(2-piperidin-1-ylethoxy)benzoyl]-1-benzothiophen-6-yl] sulfamate Traditional Name: sulfamic acid [2-(o-tolyl)-3-[4-(2-piperidinoethoxy)benzoyl]benzothiophen-6-yl] ester Formula: C29H30N2O5S2 MolecularWeight: 550.6889

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=C(C3=C(S2)C=C(C=C3)OS(=O)(=O)N)C(=O)C4=CC=C(C=C4)OCCN5CCCCC5

Isomeric SMILES

CC1=CC=CC=C1C2=C(C3=C(S2)C=C(C=C3)OS(=O)(=O)N)C(=O)C4=CC=C(C=C4)OCCN5CCCCC5

InChI

InChI=1S/C29H30N2O5S2/c1-20-7-3-4-8-24(20)29-27(25-14-13-23(19-26(25)37-29)36-38(30,33)34)28(32)21-9-11-22(12-10-21)35-18-17-31-15-5-2-6-16-31/h3-4,7-14,19H,2,5-6,15-18H2,1H3,(H2,30,33,34)