ethyl 4-[4-[[5-(1,3-benzodioxol-5-ylmethyl)-3-cyano-4-methyl-thiophen-2-yl]carbamoyl]phenyl]sulfonylpiperazine-1-carboxylate

Systemtic Name: ethyl 4-[4-[[5-(1,3-benzodioxol-5-ylmethyl)-3-cyano-4-methyl-thiophen-2-yl]carbamoyl]phenyl]sulfonylpiperazine-1-carboxylate Openeye Name: ethyl 4-[4-[[5-(1,3-benzodioxol-5-ylmethyl)-3-cyano-4-methyl-2-thienyl]carbamoyl]phenyl]sulfonylpiperazine-1-carboxylate CAS Name: 4-[4-[[[5-(1,3-benzodioxol-5-ylmethyl)-3-cyano-4-methyl-2-thiophenyl]amino]-oxomethyl]phenyl]sulfonyl-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-[[5-(1,3-benzodioxol-5-ylmethyl)-3-cyano-4-methylthiophen-2-yl]carbamoyl]phenyl]sulfonylpiperazine-1-carboxylate Traditional Name: 4-[4-[(3-cyano-4-methyl-5-piperonyl-2-thienyl)carbamoyl]phenyl]sulfonylpiperazine-1-carboxylic acid ethyl ester Formula: C28H28N4O7S2 MolecularWeight: 596.67452

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=C(C(=C(S3)CC4=CC5=C(C=C4)OCO5)C)C#N

Isomeric SMILES

CCOC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=C(C(=C(S3)CC4=CC5=C(C=C4)OCO5)C)C#N

InChI

InChI=1S/C28H28N4O7S2/c1-3-37-28(34)31-10-12-32(13-11-31)41(35,36)21-7-5-20(6-8-21)26(33)30-27-22(16-29)18(2)25(40-27)15-19-4-9-23-24(14-19)39-17-38-23/h4-9,14H,3,10-13,15,17H2,1-2H3,(H,30,33)