4-[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]-7-chloranyl-quinoline

Systemtic Name: 4-[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]-7-chloranyl-quinoline Openeye Name: 7-chloro-4-[4-(4-sec-butylphenyl)sulfonylpiperazin-1-yl]quinoline CAS Name: 4-[4-(4-butan-2-ylphenyl)sulfonyl-1-piperazinyl]-7-chloroquinoline IUPAC Name: 4-[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]-7-chloroquinoline Traditional Name: 7-chloro-4-[4-(4-sec-butylphenyl)sulfonylpiperazino]quinoline Formula: C23H26ClN3O2S MolecularWeight: 443.98944

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=C4C=CC(=CC4=NC=C3)Cl

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=C4C=CC(=CC4=NC=C3)Cl

InChI

InChI=1S/C23H26ClN3O2S/c1-3-17(2)18-4-7-20(8-5-18)30(28,29)27-14-12-26(13-15-27)23-10-11-25-22-16-19(24)6-9-21(22)23/h4-11,16-17H,3,12-15H2,1-2H3