methyl 2-[4-[5-chloranyl-1-(phenylsulfonyl)indol-2-yl]sulfonylpiperazin-2-yl]ethanoate

Systemtic Name: methyl 2-[4-[5-chloranyl-1-(phenylsulfonyl)indol-2-yl]sulfonylpiperazin-2-yl]ethanoate Openeye Name: methyl 2-[4-[1-(benzenesulfonyl)-5-chloro-indol-2-yl]sulfonylpiperazin-2-yl]acetate CAS Name: 2-[4-[[1-(benzenesulfonyl)-5-chloro-2-indolyl]sulfonyl]-2-piperazinyl]acetic acid methyl ester IUPAC Name: methyl 2-[4-[1-(benzenesulfonyl)-5-chloroindol-2-yl]sulfonylpiperazin-2-yl]acetate Traditional Name: 2-[4-(1-besyl-5-chloro-indol-2-yl)sulfonylpiperazin-2-yl]acetic acid methyl ester Formula: C21H22ClN3O6S2 MolecularWeight: 511.99888

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1CN(CCN1)S(=O)(=O)C2=CC3=C(N2S(=O)(=O)C4=CC=CC=C4)C=CC(=C3)Cl

Isomeric SMILES

COC(=O)CC1CN(CCN1)S(=O)(=O)C2=CC3=C(N2S(=O)(=O)C4=CC=CC=C4)C=CC(=C3)Cl

InChI

InChI=1S/C21H22ClN3O6S2/c1-31-21(26)13-17-14-24(10-9-23-17)33(29,30)20-12-15-11-16(22)7-8-19(15)25(20)32(27,28)18-5-3-2-4-6-18/h2-8,11-12,17,23H,9-10,13-14H2,1H3