2-[4-(6-methoxy-2-methyl-quinolin-4-yl)piperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 2-[4-(6-methoxy-2-methyl-quinolin-4-yl)piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-(6-methoxy-2-methyl-4-quinolyl)piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-(6-methoxy-2-methyl-4-quinolinyl)-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-(6-methoxy-2-methylquinolin-4-yl)piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-(6-methoxy-2-methyl-4-quinolyl)piperazino]sulfonylbenzonitrile Formula: C22H22N4O3S MolecularWeight: 422.50008

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=C(C=C2)OC)C(=C1)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4C#N

Isomeric SMILES

CC1=NC2=C(C=C(C=C2)OC)C(=C1)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4C#N

InChI

InChI=1S/C22H22N4O3S/c1-16-13-21(19-14-18(29-2)7-8-20(19)24-16)25-9-11-26(12-10-25)30(27,28)22-6-4-3-5-17(22)15-23/h3-8,13-14H,9-12H2,1-2H3