2-[4-(4-bromanyl-3-methyl-phenyl)sulfonylpiperazin-1-yl]-N-[(1S)-1-cyano-1-cyclopropyl-ethyl]ethanamide

Systemtic Name: 2-[4-(4-bromanyl-3-methyl-phenyl)sulfonylpiperazin-1-yl]-N-[(1S)-1-cyano-1-cyclopropyl-ethyl]ethanamide Openeye Name: 2-[4-(4-bromo-3-methyl-phenyl)sulfonylpiperazin-1-yl]-N-[(1S)-1-cyano-1-cyclopropyl-ethyl]acetamide CAS Name: 2-[4-(4-bromo-3-methylphenyl)sulfonyl-1-piperazinyl]-N-[(1S)-1-cyano-1-cyclopropylethyl]acetamide IUPAC Name: 2-[4-(4-bromo-3-methylphenyl)sulfonylpiperazin-1-yl]-N-[(1S)-1-cyano-1-cyclopropylethyl]acetamide Traditional Name: 2-[4-(4-bromo-3-methyl-phenyl)sulfonylpiperazino]-N-[(1S)-1-cyano-1-cyclopropyl-ethyl]acetamide Formula: C19H25BrN4O3S MolecularWeight: 469.3958

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)S(=O)(=O)N2CCN(CC2)CC(=O)NC(C)(C#N)C3CC3)Br

Isomeric SMILES

CC1=C(C=CC(=C1)S(=O)(=O)N2CCN(CC2)CC(=O)N[C@](C)(C#N)C3CC3)Br

InChI

InChI=1S/C19H25BrN4O3S/c1-14-11-16(5-6-17(14)20)28(26,27)24-9-7-23(8-10-24)12-18(25)22-19(2,13-21)15-3-4-15/h5-6,11,15H,3-4,7-10,12H2,1-2H3,(H,22,25)/t19-/m1/s1