2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-8-methyl-quinoline-3-carbaldehyde

Systemtic Name: 2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-8-methyl-quinoline-3-carbaldehyde Openeye Name: 2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-8-methyl-quinoline-3-carbaldehyde CAS Name: 2-[4-(4-methoxyphenyl)sulfonyl-1-piperazinyl]-8-methyl-3-quinolinecarboxaldehyde IUPAC Name: 2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-8-methylquinoline-3-carbaldehyde Traditional Name: 2-[4-(4-methoxyphenyl)sulfonylpiperazino]-8-methyl-quinoline-3-carbaldehyde Formula: C22H23N3O4S MolecularWeight: 425.50072

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=CC(=C(N=C12)N3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)OC)C=O

Isomeric SMILES

CC1=CC=CC2=CC(=C(N=C12)N3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)OC)C=O

InChI

InChI=1S/C22H23N3O4S/c1-16-4-3-5-17-14-18(15-26)22(23-21(16)17)24-10-12-25(13-11-24)30(27,28)20-8-6-19(29-2)7-9-20/h3-9,14-15H,10-13H2,1-2H3