3-methyl-N-[3-(3-oxidanylidenepiperazin-1-yl)sulfonylphenyl]quinoline-8-sulfonamide

Systemtic Name: 3-methyl-N-[3-(3-oxidanylidenepiperazin-1-yl)sulfonylphenyl]quinoline-8-sulfonamide Openeye Name: 3-methyl-N-[3-(3-oxopiperazin-1-yl)sulfonylphenyl]quinoline-8-sulfonamide CAS Name: 3-methyl-N-[3-[(3-oxo-1-piperazinyl)sulfonyl]phenyl]-8-quinolinesulfonamide IUPAC Name: 3-methyl-N-[3-(3-oxopiperazin-1-yl)sulfonylphenyl]quinoline-8-sulfonamide Traditional Name: N-[3-(3-ketopiperazino)sulfonylphenyl]-3-methyl-quinoline-8-sulfonamide Formula: C20H20N4O5S2 MolecularWeight: 460.5266

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C2C(=C1)C=CC=C2S(=O)(=O)NC3=CC(=CC=C3)S(=O)(=O)N4CCNC(=O)C4

Isomeric SMILES

CC1=CN=C2C(=C1)C=CC=C2S(=O)(=O)NC3=CC(=CC=C3)S(=O)(=O)N4CCNC(=O)C4

InChI

InChI=1S/C20H20N4O5S2/c1-14-10-15-4-2-7-18(20(15)22-12-14)30(26,27)23-16-5-3-6-17(11-16)31(28,29)24-9-8-21-19(25)13-24/h2-7,10-12,23H,8-9,13H2,1H3,(H,21,25)