[4-(4-tert-butylphenyl)sulfonyl-6-chloranyl-quinolin-3-yl]-piperidin-1-yl-methanone

Systemtic Name: [4-(4-tert-butylphenyl)sulfonyl-6-chloranyl-quinolin-3-yl]-piperidin-1-yl-methanone Openeye Name: [4-(4-tert-butylphenyl)sulfonyl-6-chloro-3-quinolyl]-(1-piperidyl)methanone CAS Name: [4-(4-tert-butylphenyl)sulfonyl-6-chloro-3-quinolinyl]-(1-piperidinyl)methanone IUPAC Name: [4-(4-tert-butylphenyl)sulfonyl-6-chloroquinolin-3-yl]-piperidin-1-ylmethanone Traditional Name: [4-(4-tert-butylphenyl)sulfonyl-6-chloro-3-quinolyl]-piperidino-methanone Formula: C25H27ClN2O3S MolecularWeight: 471.01148

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)C2=C3C=C(C=CC3=NC=C2C(=O)N4CCCCC4)Cl

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)C2=C3C=C(C=CC3=NC=C2C(=O)N4CCCCC4)Cl

InChI

InChI=1S/C25H27ClN2O3S/c1-25(2,3)17-7-10-19(11-8-17)32(30,31)23-20-15-18(26)9-12-22(20)27-16-21(23)24(29)28-13-5-4-6-14-28/h7-12,15-16H,4-6,13-14H2,1-3H3