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

Systemtic Name: ethyl 3-methyl-5-[[3-(4-methylpiperazin-1-yl)sulfonylphenyl]carbonylamino]thiophene-2-carboxylate Openeye Name: ethyl 3-methyl-5-[[3-(4-methylpiperazin-1-yl)sulfonylbenzoyl]amino]thiophene-2-carboxylate CAS Name: 3-methyl-5-[[[3-[(4-methyl-1-piperazinyl)sulfonyl]phenyl]-oxomethyl]amino]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 3-methyl-5-[[3-(4-methylpiperazin-1-yl)sulfonylbenzoyl]amino]thiophene-2-carboxylate Traditional Name: 3-methyl-5-[[3-(4-methylpiperazino)sulfonylbenzoyl]amino]thiophene-2-carboxylic acid ethyl ester Formula: C20H25N3O5S2 MolecularWeight: 451.5596

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=C(S1)NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCN(CC3)C)C

Isomeric SMILES

CCOC(=O)C1=C(C=C(S1)NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCN(CC3)C)C

InChI

InChI=1S/C20H25N3O5S2/c1-4-28-20(25)18-14(2)12-17(29-18)21-19(24)15-6-5-7-16(13-15)30(26,27)23-10-8-22(3)9-11-23/h5-7,12-13H,4,8-11H2,1-3H3,(H,21,24)