7-chloranyl-N-[4-(4-methylsulfonylpiperazin-1-yl)sulfonylphenyl]quinolin-4-amine; oxetane

Systemtic Name: 7-chloranyl-N-[4-(4-methylsulfonylpiperazin-1-yl)sulfonylphenyl]quinolin-4-amine; oxetane Openeye Name: 7-chloro-N-[4-(4-methylsulfonylpiperazin-1-yl)sulfonylphenyl]quinolin-4-amine; oxetane CAS Name: 7-chloro-N-[4-[(4-methylsulfonyl-1-piperazinyl)sulfonyl]phenyl]-4-quinolinamine; oxetane IUPAC Name: 7-chloro-N-[4-(4-methylsulfonylpiperazin-1-yl)sulfonylphenyl]quinolin-4-amine; oxetane Traditional Name: (7-chloro-4-quinolyl)-[4-(4-mesylpiperazino)sulfonylphenyl]amine; oxetane Formula: C23H27ClN4O5S2 MolecularWeight: 539.06728

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC3=C4C=CC(=CC4=NC=C3)Cl.C1COC1

Isomeric SMILES

CS(=O)(=O)N1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC3=C4C=CC(=CC4=NC=C3)Cl.C1COC1

InChI

InChI=1S/C20H21ClN4O4S2.C3H6O/c1-30(26,27)24-10-12-25(13-11-24)31(28,29)17-5-3-16(4-6-17)23-19-8-9-22-20-14-15(21)2-7-18(19)20;1-2-4-3-1/h2-9,14H,10-13H2,1H3,(H,22,23);1-3H2