7-chloranyl-N-[4-[4-(3,5-diethoxyphenyl)piperazin-1-yl]sulfonylphenyl]quinolin-4-amine

Systemtic Name: 7-chloranyl-N-[4-[4-(3,5-diethoxyphenyl)piperazin-1-yl]sulfonylphenyl]quinolin-4-amine Openeye Name: 7-chloro-N-[4-[4-(3,5-diethoxyphenyl)piperazin-1-yl]sulfonylphenyl]quinolin-4-amine CAS Name: 7-chloro-N-[4-[[4-(3,5-diethoxyphenyl)-1-piperazinyl]sulfonyl]phenyl]-4-quinolinamine IUPAC Name: 7-chloro-N-[4-[4-(3,5-diethoxyphenyl)piperazin-1-yl]sulfonylphenyl]quinolin-4-amine Traditional Name: (7-chloro-4-quinolyl)-[4-[4-(3,5-diethoxyphenyl)piperazino]sulfonylphenyl]amine Formula: C29H31ClN4O4S MolecularWeight: 567.09884

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)NC4=C5C=CC(=CC5=NC=C4)Cl)OCC

Isomeric SMILES

CCOC1=CC(=CC(=C1)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)NC4=C5C=CC(=CC5=NC=C4)Cl)OCC

InChI

InChI=1S/C29H31ClN4O4S/c1-3-37-24-18-23(19-25(20-24)38-4-2)33-13-15-34(16-14-33)39(35,36)26-8-6-22(7-9-26)32-28-11-12-31-29-17-21(30)5-10-27(28)29/h5-12,17-20H,3-4,13-16H2,1-2H3,(H,31,32)