N-(4-bromanyl-3-methyl-phenyl)-6-pyrrolidin-1-ylsulfonyl-quinolin-2-amine

Systemtic Name: N-(4-bromanyl-3-methyl-phenyl)-6-pyrrolidin-1-ylsulfonyl-quinolin-2-amine Openeye Name: N-(4-bromo-3-methyl-phenyl)-6-pyrrolidin-1-ylsulfonyl-quinolin-2-amine CAS Name: N-(4-bromo-3-methylphenyl)-6-(1-pyrrolidinylsulfonyl)-2-quinolinamine IUPAC Name: N-(4-bromo-3-methylphenyl)-6-pyrrolidin-1-ylsulfonylquinolin-2-amine Traditional Name: (4-bromo-3-methyl-phenyl)-(6-pyrrolidinosulfonyl-2-quinolyl)amine Formula: C20H20BrN3O2S MolecularWeight: 446.3607

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC2=NC3=C(C=C2)C=C(C=C3)S(=O)(=O)N4CCCC4)Br

Isomeric SMILES

CC1=C(C=CC(=C1)NC2=NC3=C(C=C2)C=C(C=C3)S(=O)(=O)N4CCCC4)Br

InChI

InChI=1S/C20H20BrN3O2S/c1-14-12-16(5-7-18(14)21)22-20-9-4-15-13-17(6-8-19(15)23-20)27(25,26)24-10-2-3-11-24/h4-9,12-13H,2-3,10-11H2,1H3,(H,22,23)