methyl 3-(4-methylpiperidin-1-yl)sulfonyl-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 3-(4-methylpiperidin-1-yl)sulfonyl-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-[(4-methyl-1-piperidyl)sulfonyl]benzothiophene-2-carboxylate CAS Name: 3-[(4-methyl-1-piperidinyl)sulfonyl]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-(4-methylpiperidin-1-yl)sulfonyl-1-benzothiophene-2-carboxylate Traditional Name: 3-(4-methylpiperidino)sulfonylbenzothiophene-2-carboxylic acid methyl ester Formula: C16H19NO4S2 MolecularWeight: 353.45636

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)S(=O)(=O)C2=C(SC3=CC=CC=C32)C(=O)OC

Isomeric SMILES

CC1CCN(CC1)S(=O)(=O)C2=C(SC3=CC=CC=C32)C(=O)OC

InChI

InChI=1S/C16H19NO4S2/c1-11-7-9-17(10-8-11)23(19,20)15-12-5-3-4-6-13(12)22-14(15)16(18)21-2/h3-6,11H,7-10H2,1-2H3