N-(2-bromanyl-5-methyl-phenyl)-3-[(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)carbonyl]benzenesulfonamide

Systemtic Name: N-(2-bromanyl-5-methyl-phenyl)-3-[(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)carbonyl]benzenesulfonamide Openeye Name: N-(2-bromo-5-methyl-phenyl)-3-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)benzenesulfonamide CAS Name: N-(2-bromo-5-methylphenyl)-3-[(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-oxomethyl]benzenesulfonamide IUPAC Name: N-(2-bromo-5-methylphenyl)-3-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)benzenesulfonamide Traditional Name: N-(2-bromo-5-methyl-phenyl)-3-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)benzenesulfonamide Formula: C22H22BrN3O3S MolecularWeight: 488.39738

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2=CC=CN2CCN1C(=O)C3=CC(=CC=C3)S(=O)(=O)NC4=C(C=CC(=C4)C)Br

Isomeric SMILES

CC1C2=CC=CN2CCN1C(=O)C3=CC(=CC=C3)S(=O)(=O)NC4=C(C=CC(=C4)C)Br

InChI

InChI=1S/C22H22BrN3O3S/c1-15-8-9-19(23)20(13-15)24-30(28,29)18-6-3-5-17(14-18)22(27)26-12-11-25-10-4-7-21(25)16(26)2/h3-10,13-14,16,24H,11-12H2,1-2H3