N-(1-benzothiophen-5-yl)-N-[(3-methylsulfonylphenyl)methyl]piperidin-4-amine

Systemtic Name: N-(1-benzothiophen-5-yl)-N-[(3-methylsulfonylphenyl)methyl]piperidin-4-amine Openeye Name: N-(benzothiophen-5-yl)-N-[(3-methylsulfonylphenyl)methyl]piperidin-4-amine CAS Name: N-(1-benzothiophen-5-yl)-N-[(3-methylsulfonylphenyl)methyl]-4-piperidinamine IUPAC Name: N-(1-benzothiophen-5-yl)-N-[(3-methylsulfonylphenyl)methyl]piperidin-4-amine Traditional Name: benzothiophen-5-yl-(3-mesylbenzyl)-(4-piperidyl)amine Formula: C21H24N2O2S2 MolecularWeight: 400.55746

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC(=C1)CN(C2CCNCC2)C3=CC4=C(C=C3)SC=C4

Isomeric SMILES

CS(=O)(=O)C1=CC=CC(=C1)CN(C2CCNCC2)C3=CC4=C(C=C3)SC=C4

InChI

InChI=1S/C21H24N2O2S2/c1-27(24,25)20-4-2-3-16(13-20)15-23(18-7-10-22-11-8-18)19-5-6-21-17(14-19)9-12-26-21/h2-6,9,12-14,18,22H,7-8,10-11,15H2,1H3