N-[(2S)-1-[2-(4-bromanyl-1-methyl-pyrrol-2-yl)carbonylhydrazinyl]-3-methyl-1-oxidanylidene-butan-2-yl]-4-methyl-benzenesulfonamide

Systemtic Name: N-[(2S)-1-[2-(4-bromanyl-1-methyl-pyrrol-2-yl)carbonylhydrazinyl]-3-methyl-1-oxidanylidene-butan-2-yl]-4-methyl-benzenesulfonamide Openeye Name: N-[(1S)-1-[[(4-bromo-1-methyl-pyrrole-2-carbonyl)amino]carbamoyl]-2-methyl-propyl]-4-methyl-benzenesulfonamide CAS Name: N-[(2S)-1-[[(4-bromo-1-methyl-2-pyrrolyl)-oxomethyl]hydrazo]-3-methyl-1-oxobutan-2-yl]-4-methylbenzenesulfonamide IUPAC Name: N-[(2S)-1-[2-(4-bromo-1-methylpyrrole-2-carbonyl)hydrazinyl]-3-methyl-1-oxobutan-2-yl]-4-methylbenzenesulfonamide Traditional Name: N-[(1S)-1-[[(4-bromo-1-methyl-pyrrole-2-carbonyl)amino]carbamoyl]-2-methyl-propyl]-4-methyl-benzenesulfonamide Formula: C18H23BrN4O4S MolecularWeight: 471.36862

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(C(C)C)C(=O)NNC(=O)C2=CC(=CN2C)Br

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N[C@@H](C(C)C)C(=O)NNC(=O)C2=CC(=CN2C)Br

InChI

InChI=1S/C18H23BrN4O4S/c1-11(2)16(22-28(26,27)14-7-5-12(3)6-8-14)18(25)21-20-17(24)15-9-13(19)10-23(15)4/h5-11,16,22H,1-4H3,(H,20,24)(H,21,25)/t16-/m0/s1