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

Systemtic Name: ethyl 4-[4-[[5-(1,3-benzodioxol-5-ylmethyl)-3-ethoxycarbonyl-4-methyl-thiophen-2-yl]carbamoyl]phenyl]sulfonylpiperazine-1-carboxylate Openeye Name: ethyl 4-[4-[[5-(1,3-benzodioxol-5-ylmethyl)-3-ethoxycarbonyl-4-methyl-2-thienyl]carbamoyl]phenyl]sulfonylpiperazine-1-carboxylate CAS Name: 4-[4-[[[5-(1,3-benzodioxol-5-ylmethyl)-3-ethoxycarbonyl-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-ethoxycarbonyl-4-methylthiophen-2-yl]carbamoyl]phenyl]sulfonylpiperazine-1-carboxylate Traditional Name: 4-[4-[(3-carbethoxy-4-methyl-5-piperonyl-2-thienyl)carbamoyl]phenyl]sulfonylpiperazine-1-carboxylic acid ethyl ester Formula: C30H33N3O9S2 MolecularWeight: 643.72772

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)CC2=CC3=C(C=C2)OCO3)NC(=O)C4=CC=C(C=C4)S(=O)(=O)N5CCN(CC5)C(=O)OCC

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)CC2=CC3=C(C=C2)OCO3)NC(=O)C4=CC=C(C=C4)S(=O)(=O)N5CCN(CC5)C(=O)OCC

InChI

InChI=1S/C30H33N3O9S2/c1-4-39-29(35)26-19(3)25(17-20-6-11-23-24(16-20)42-18-41-23)43-28(26)31-27(34)21-7-9-22(10-8-21)44(37,38)33-14-12-32(13-15-33)30(36)40-5-2/h6-11,16H,4-5,12-15,17-18H2,1-3H3,(H,31,34)