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

Systemtic Name: (2S)-2-[4-(4-bromanyl-3-methyl-phenyl)sulfonylpiperazin-1-yl]-N-ethyl-propanamide Openeye Name: (2S)-2-[4-(4-bromo-3-methyl-phenyl)sulfonylpiperazin-1-yl]-N-ethyl-propanamide CAS Name: (2S)-2-[4-(4-bromo-3-methylphenyl)sulfonyl-1-piperazinyl]-N-ethylpropanamide IUPAC Name: (2S)-2-[4-(4-bromo-3-methylphenyl)sulfonylpiperazin-1-yl]-N-ethylpropanamide Traditional Name: (2S)-2-[4-(4-bromo-3-methyl-phenyl)sulfonylpiperazino]-N-ethyl-propionamide Formula: C16H24BrN3O3S MolecularWeight: 418.34906

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C(C)N1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Br)C

Isomeric SMILES

CCNC(=O)[C@H](C)N1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Br)C

InChI

InChI=1S/C16H24BrN3O3S/c1-4-18-16(21)13(3)19-7-9-20(10-8-19)24(22,23)14-5-6-15(17)12(2)11-14/h5-6,11,13H,4,7-10H2,1-3H3,(H,18,21)/t13-/m0/s1