2-[4-(4-bromanyl-2-chloranyl-phenyl)sulfonylpiperazin-1-yl]-N-tert-butyl-propanamide

Systemtic Name: 2-[4-(4-bromanyl-2-chloranyl-phenyl)sulfonylpiperazin-1-yl]-N-tert-butyl-propanamide Openeye Name: 2-[4-(4-bromo-2-chloro-phenyl)sulfonylpiperazin-1-yl]-N-tert-butyl-propanamide CAS Name: 2-[4-(4-bromo-2-chlorophenyl)sulfonyl-1-piperazinyl]-N-tert-butylpropanamide IUPAC Name: 2-[4-(4-bromo-2-chlorophenyl)sulfonylpiperazin-1-yl]-N-tert-butylpropanamide Traditional Name: 2-[4-(4-bromo-2-chloro-phenyl)sulfonylpiperazino]-N-tert-butyl-propionamide Formula: C17H25BrClN3O3S MolecularWeight: 466.8207

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(C)(C)C)N1CCN(CC1)S(=O)(=O)C2=C(C=C(C=C2)Br)Cl

Isomeric SMILES

CC(C(=O)NC(C)(C)C)N1CCN(CC1)S(=O)(=O)C2=C(C=C(C=C2)Br)Cl

InChI

InChI=1S/C17H25BrClN3O3S/c1-12(16(23)20-17(2,3)4)21-7-9-22(10-8-21)26(24,25)15-6-5-13(18)11-14(15)19/h5-6,11-12H,7-10H2,1-4H3,(H,20,23)