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

Systemtic Name: ethyl 4-[4-[[5-(1,3-benzodioxol-5-ylmethyl)-3-methoxycarbonyl-4-methyl-thiophen-2-yl]carbamoyl]phenyl]sulfonylpiperazine-1-carboxylate Openeye Name: ethyl 4-[4-[[5-(1,3-benzodioxol-5-ylmethyl)-3-methoxycarbonyl-4-methyl-2-thienyl]carbamoyl]phenyl]sulfonylpiperazine-1-carboxylate CAS Name: 4-[4-[[[5-(1,3-benzodioxol-5-ylmethyl)-3-methoxycarbonyl-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-methoxycarbonyl-4-methylthiophen-2-yl]carbamoyl]phenyl]sulfonylpiperazine-1-carboxylate Traditional Name: 4-[4-[(3-carbomethoxy-4-methyl-5-piperonyl-2-thienyl)carbamoyl]phenyl]sulfonylpiperazine-1-carboxylic acid ethyl ester Formula: C29H31N3O9S2 MolecularWeight: 629.70114

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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(=O)OC

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(=O)OC

InChI

InChI=1S/C29H31N3O9S2/c1-4-39-29(35)31-11-13-32(14-12-31)43(36,37)21-8-6-20(7-9-21)26(33)30-27-25(28(34)38-3)18(2)24(42-27)16-19-5-10-22-23(15-19)41-17-40-22/h5-10,15H,4,11-14,16-17H2,1-3H3,(H,30,33)