N-[2-[4-[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]piperazin-1-yl]ethyl]quinoline-8-sulfonamide

Systemtic Name: N-[2-[4-[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]piperazin-1-yl]ethyl]quinoline-8-sulfonamide Openeye Name: N-[2-[4-[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]piperazin-1-yl]ethyl]quinoline-8-sulfonamide CAS Name: N-[2-[4-[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]-1-piperazinyl]ethyl]-8-quinolinesulfonamide IUPAC Name: N-[2-[4-[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]piperazin-1-yl]ethyl]quinoline-8-sulfonamide Traditional Name: N-[2-[4-(3-m-anisyl-1,2,4-thiadiazol-5-yl)piperazino]ethyl]quinoline-8-sulfonamide Formula: C25H28N6O3S2 MolecularWeight: 524.65822

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CC2=NSC(=N2)N3CCN(CC3)CCNS(=O)(=O)C4=CC=CC5=C4N=CC=C5

Isomeric SMILES

COC1=CC=CC(=C1)CC2=NSC(=N2)N3CCN(CC3)CCNS(=O)(=O)C4=CC=CC5=C4N=CC=C5

InChI

InChI=1S/C25H28N6O3S2/c1-34-21-8-2-5-19(17-21)18-23-28-25(35-29-23)31-15-13-30(14-16-31)12-11-27-36(32,33)22-9-3-6-20-7-4-10-26-24(20)22/h2-10,17,27H,11-16,18H2,1H3