ethyl 2-[[1-(3-phenylpropylsulfonyl)piperidin-3-yl]carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-[[1-(3-phenylpropylsulfonyl)piperidin-3-yl]carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[[1-(3-phenylpropylsulfonyl)piperidine-3-carbonyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[oxo-[1-(3-phenylpropylsulfonyl)-3-piperidinyl]methyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[[1-(3-phenylpropylsulfonyl)piperidine-3-carbonyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[1-(3-phenylpropylsulfonyl)nipecotoyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C26H34N2O5S2 MolecularWeight: 518.68856

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3CCCN(C3)S(=O)(=O)CCCC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3CCCN(C3)S(=O)(=O)CCCC4=CC=CC=C4

InChI

InChI=1S/C26H34N2O5S2/c1-2-33-26(30)23-21-14-6-7-15-22(21)34-25(23)27-24(29)20-13-8-16-28(18-20)35(31,32)17-9-12-19-10-4-3-5-11-19/h3-5,10-11,20H,2,6-9,12-18H2,1H3,(H,27,29)