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

Systemtic Name: ethyl 2-[[(4-chlorophenyl)sulfonyl-piperidin-4-yl-methyl]carbamoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[[(4-chlorophenyl)sulfonyl-(4-piperidyl)methyl]carbamoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[[[(4-chlorophenyl)sulfonyl-(4-piperidinyl)methyl]amino]-oxomethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[[(4-chlorophenyl)sulfonyl-piperidin-4-ylmethyl]carbamoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[(4-chlorophenyl)sulfonyl-(4-piperidyl)methyl]carbamoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C24H30ClN3O5S2 MolecularWeight: 540.0951

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C24H30ClN3O5S2/c1-2-33-23(29)20-18-5-3-4-6-19(18)34-21(20)27-24(30)28-22(15-11-13-26-14-12-15)35(31,32)17-9-7-16(25)8-10-17/h7-10,15,22,26H,2-6,11-14H2,1H3,(H2,27,28,30)