methyl 2-[(phenylmethyl)sulfonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: methyl 2-[(phenylmethyl)sulfonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-(benzylsulfonylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[(phenylmethyl)sulfonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-(benzylsulfonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-(benzylsulfonylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C17H19NO4S2 MolecularWeight: 365.46706

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC2=C1CCCC2)NS(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=C(SC2=C1CCCC2)NS(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C17H19NO4S2/c1-22-17(19)15-13-9-5-6-10-14(13)23-16(15)18-24(20,21)11-12-7-3-2-4-8-12/h2-4,7-8,18H,5-6,9-11H2,1H3