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

Systemtic Name: ethyl 2-[[(4-methylphenyl)sulfonyl-piperidin-4-yl-methyl]carbamoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[[4-piperidyl(p-tolylsulfonyl)methyl]carbamoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[[[(4-methylphenyl)sulfonyl-(4-piperidinyl)methyl]amino]-oxomethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[[(4-methylphenyl)sulfonyl-piperidin-4-ylmethyl]carbamoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[4-piperidyl(tosyl)methyl]carbamoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C25H33N3O5S2 MolecularWeight: 519.67662

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H33N3O5S2/c1-3-33-24(29)21-19-6-4-5-7-20(19)34-22(21)27-25(30)28-23(17-12-14-26-15-13-17)35(31,32)18-10-8-16(2)9-11-18/h8-11,17,23,26H,3-7,12-15H2,1-2H3,(H2,27,28,30)