N-(phenylmethyl)-2-[(3-piperidin-1-ylsulfonylphenyl)carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Systemtic Name: N-(phenylmethyl)-2-[(3-piperidin-1-ylsulfonylphenyl)carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: N-benzyl-2-[[3-(1-piperidylsulfonyl)benzoyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 2-[[oxo-[3-(1-piperidinylsulfonyl)phenyl]methyl]amino]-N-(phenylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: N-benzyl-2-[(3-piperidin-1-ylsulfonylbenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: N-benzyl-2-[(3-piperidinosulfonylbenzoyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C28H31N3O4S2 MolecularWeight: 537.69344

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NC3=C(C4=C(S3)CCCC4)C(=O)NCC5=CC=CC=C5

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NC3=C(C4=C(S3)CCCC4)C(=O)NCC5=CC=CC=C5

InChI

InChI=1S/C28H31N3O4S2/c32-26(21-12-9-13-22(18-21)37(34,35)31-16-7-2-8-17-31)30-28-25(23-14-5-6-15-24(23)36-28)27(33)29-19-20-10-3-1-4-11-20/h1,3-4,9-13,18H,2,5-8,14-17,19H2,(H,29,33)(H,30,32)