methyl 1-[2-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl]indole-3-carboxylate

Systemtic Name: methyl 1-[2-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl]indole-3-carboxylate Openeye Name: methyl 1-[2-[4-[(5-methyl-2-thienyl)sulfonyl]piperazin-1-yl]-2-oxo-ethyl]indole-3-carboxylate CAS Name: 1-[2-[4-[(5-methyl-2-thiophenyl)sulfonyl]-1-piperazinyl]-2-oxoethyl]-3-indolecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]-2-oxoethyl]indole-3-carboxylate Traditional Name: 1-[2-keto-2-[4-[(5-methyl-2-thienyl)sulfonyl]piperazino]ethyl]indole-3-carboxylic acid methyl ester Formula: C21H23N3O5S2 MolecularWeight: 461.55442

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)S(=O)(=O)N2CCN(CC2)C(=O)CN3C=C(C4=CC=CC=C43)C(=O)OC

Isomeric SMILES

CC1=CC=C(S1)S(=O)(=O)N2CCN(CC2)C(=O)CN3C=C(C4=CC=CC=C43)C(=O)OC

InChI

InChI=1S/C21H23N3O5S2/c1-15-7-8-20(30-15)31(27,28)24-11-9-22(10-12-24)19(25)14-23-13-17(21(26)29-2)16-5-3-4-6-18(16)23/h3-8,13H,9-12,14H2,1-2H3