(2S)-2-[(5-bromanyl-2-methoxy-phenyl)methyl-methyl-amino]-N-(4-sulfamoylphenyl)propanamide

Systemtic Name: (2S)-2-[(5-bromanyl-2-methoxy-phenyl)methyl-methyl-amino]-N-(4-sulfamoylphenyl)propanamide Openeye Name: (2S)-2-[(5-bromo-2-methoxy-phenyl)methyl-methyl-amino]-N-(4-sulfamoylphenyl)propanamide CAS Name: (2S)-2-[(5-bromo-2-methoxyphenyl)methyl-methylamino]-N-(4-sulfamoylphenyl)propanamide IUPAC Name: (2S)-2-[(5-bromo-2-methoxyphenyl)methyl-methylamino]-N-(4-sulfamoylphenyl)propanamide Traditional Name: (2S)-2-[(5-bromo-2-methoxy-benzyl)-methyl-amino]-N-(4-sulfamoylphenyl)propionamide Formula: C18H22BrN3O4S MolecularWeight: 456.35398

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)N)N(C)CC2=C(C=CC(=C2)Br)OC

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=C(C=C1)S(=O)(=O)N)N(C)CC2=C(C=CC(=C2)Br)OC

InChI

InChI=1S/C18H22BrN3O4S/c1-12(22(2)11-13-10-14(19)4-9-17(13)26-3)18(23)21-15-5-7-16(8-6-15)27(20,24)25/h4-10,12H,11H2,1-3H3,(H,21,23)(H2,20,24,25)/t12-/m0/s1