N-(4-bromanyl-2-chloranyl-phenyl)-2-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]ethanamide

Systemtic Name: N-(4-bromanyl-2-chloranyl-phenyl)-2-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]ethanamide Openeye Name: N-(4-bromo-2-chloro-phenyl)-2-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]acetamide CAS Name: N-(4-bromo-2-chlorophenyl)-2-[4-(4-tert-butylphenyl)sulfonyl-1-piperazinyl]acetamide IUPAC Name: N-(4-bromo-2-chlorophenyl)-2-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]acetamide Traditional Name: N-(4-bromo-2-chloro-phenyl)-2-[4-(4-tert-butylphenyl)sulfonylpiperazino]acetamide Formula: C22H27BrClN3O3S MolecularWeight: 528.89008

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC(=O)NC3=C(C=C(C=C3)Br)Cl

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC(=O)NC3=C(C=C(C=C3)Br)Cl

InChI

InChI=1S/C22H27BrClN3O3S/c1-22(2,3)16-4-7-18(8-5-16)31(29,30)27-12-10-26(11-13-27)15-21(28)25-20-9-6-17(23)14-19(20)24/h4-9,14H,10-13,15H2,1-3H3,(H,25,28)