ethyl 3-[[4-(3-methylpiperidin-1-yl)sulfonylphenyl]carbonylamino]-5-phenyl-thiophene-2-carboxylate

Systemtic Name: ethyl 3-[[4-(3-methylpiperidin-1-yl)sulfonylphenyl]carbonylamino]-5-phenyl-thiophene-2-carboxylate Openeye Name: ethyl 3-[[4-[(3-methyl-1-piperidyl)sulfonyl]benzoyl]amino]-5-phenyl-thiophene-2-carboxylate CAS Name: 3-[[[4-[(3-methyl-1-piperidinyl)sulfonyl]phenyl]-oxomethyl]amino]-5-phenyl-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[[4-(3-methylpiperidin-1-yl)sulfonylbenzoyl]amino]-5-phenylthiophene-2-carboxylate Traditional Name: 3-[[4-(3-methylpiperidino)sulfonylbenzoyl]amino]-5-phenyl-thiophene-2-carboxylic acid ethyl ester Formula: C26H28N2O5S2 MolecularWeight: 512.64092

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=C(S1)C2=CC=CC=C2)NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCC(C4)C

Isomeric SMILES

CCOC(=O)C1=C(C=C(S1)C2=CC=CC=C2)NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCC(C4)C

InChI

InChI=1S/C26H28N2O5S2/c1-3-33-26(30)24-22(16-23(34-24)19-9-5-4-6-10-19)27-25(29)20-11-13-21(14-12-20)35(31,32)28-15-7-8-18(2)17-28/h4-6,9-14,16,18H,3,7-8,15,17H2,1-2H3,(H,27,29)