ethyl 2-[[(4-methoxyphenyl)sulfonyl-piperidin-4-yl-methyl]carbamoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-[[(4-methoxyphenyl)sulfonyl-piperidin-4-yl-methyl]carbamoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[[(4-methoxyphenyl)sulfonyl-(4-piperidyl)methyl]carbamoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[[[(4-methoxyphenyl)sulfonyl-(4-piperidinyl)methyl]amino]-oxomethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[[(4-methoxyphenyl)sulfonyl-piperidin-4-ylmethyl]carbamoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[(4-methoxyphenyl)sulfonyl-(4-piperidyl)methyl]carbamoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C25H33N3O6S2 MolecularWeight: 535.67602

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)NC(C3CCNCC3)S(=O)(=O)C4=CC=C(C=C4)OC

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)NC(C3CCNCC3)S(=O)(=O)C4=CC=C(C=C4)OC

InChI

InChI=1S/C25H33N3O6S2/c1-3-34-24(29)21-19-6-4-5-7-20(19)35-22(21)27-25(30)28-23(16-12-14-26-15-13-16)36(31,32)18-10-8-17(33-2)9-11-18/h8-11,16,23,26H,3-7,12-15H2,1-2H3,(H2,27,28,30)