methyl 2-[2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]ethanoylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]ethanoylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]acetyl]amino]-5-methyl-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[2-[4-(2,5-dimethylphenyl)sulfonyl-1-piperazinyl]-1-oxoethyl]amino]-5-methyl-4-phenyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]acetyl]amino]-5-methyl-4-phenylthiophene-3-carboxylate Traditional Name: 2-[[2-[4-(2,5-dimethylphenyl)sulfonylpiperazino]acetyl]amino]-5-methyl-4-phenyl-thiophene-3-carboxylic acid methyl ester Formula: C27H31N3O5S2 MolecularWeight: 541.68214

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)S(=O)(=O)N2CCN(CC2)CC(=O)NC3=C(C(=C(S3)C)C4=CC=CC=C4)C(=O)OC

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)N2CCN(CC2)CC(=O)NC3=C(C(=C(S3)C)C4=CC=CC=C4)C(=O)OC

InChI

InChI=1S/C27H31N3O5S2/c1-18-10-11-19(2)22(16-18)37(33,34)30-14-12-29(13-15-30)17-23(31)28-26-25(27(32)35-4)24(20(3)36-26)21-8-6-5-7-9-21/h5-11,16H,12-15,17H2,1-4H3,(H,28,31)