methyl 3-[2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)ethanoylamino]thiophene-2-carboxylate

Systemtic Name: methyl 3-[2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)ethanoylamino]thiophene-2-carboxylate Openeye Name: methyl 3-[[2-[4-(2-naphthylsulfonyl)piperazin-1-yl]acetyl]amino]thiophene-2-carboxylate CAS Name: 3-[[2-[4-(2-naphthalenylsulfonyl)-1-piperazinyl]-1-oxoethyl]amino]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[[2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)acetyl]amino]thiophene-2-carboxylate Traditional Name: 3-[[2-[4-(2-naphthylsulfonyl)piperazino]acetyl]amino]thiophene-2-carboxylic acid methyl ester Formula: C22H23N3O5S2 MolecularWeight: 473.56512

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CS1)NC(=O)CN2CCN(CC2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

COC(=O)C1=C(C=CS1)NC(=O)CN2CCN(CC2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C22H23N3O5S2/c1-30-22(27)21-19(8-13-31-21)23-20(26)15-24-9-11-25(12-10-24)32(28,29)18-7-6-16-4-2-3-5-17(16)14-18/h2-8,13-14H,9-12,15H2,1H3,(H,23,26)