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

Systemtic Name: methyl 2-[(4-phenoxyphenyl)sulfonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-[(4-phenoxyphenyl)sulfonylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[(4-phenoxyphenyl)sulfonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[(4-phenoxyphenyl)sulfonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[(4-phenoxyphenyl)sulfonylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C22H21NO5S2 MolecularWeight: 443.53584

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC2=C1CCCC2)NS(=O)(=O)C3=CC=C(C=C3)OC4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=C(SC2=C1CCCC2)NS(=O)(=O)C3=CC=C(C=C3)OC4=CC=CC=C4

InChI

InChI=1S/C22H21NO5S2/c1-27-22(24)20-18-9-5-6-10-19(18)29-21(20)23-30(25,26)17-13-11-16(12-14-17)28-15-7-3-2-4-8-15/h2-4,7-8,11-14,23H,5-6,9-10H2,1H3