N-(6-bromanyl-2-methyl-quinolin-4-yl)-4-pyrrolidin-1-ylsulfonyl-benzamide

Systemtic Name: N-(6-bromanyl-2-methyl-quinolin-4-yl)-4-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: N-(6-bromo-2-methyl-4-quinolyl)-4-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: N-(6-bromo-2-methyl-4-quinolinyl)-4-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: N-(6-bromo-2-methylquinolin-4-yl)-4-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: N-(6-bromo-2-methyl-4-quinolyl)-4-pyrrolidinosulfonyl-benzamide Formula: C21H20BrN3O3S MolecularWeight: 474.3708

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20BrN3O3S/c1-14-12-20(18-13-16(22)6-9-19(18)23-14)24-21(26)15-4-7-17(8-5-15)29(27,28)25-10-2-3-11-25/h4-9,12-13H,2-3,10-11H2,1H3,(H,23,24,26)