2-[4-(4-bromanyl-3-methyl-phenyl)sulfonylpiperazin-1-yl]-N-methyl-N-(phenylmethyl)ethanamide

Systemtic Name: 2-[4-(4-bromanyl-3-methyl-phenyl)sulfonylpiperazin-1-yl]-N-methyl-N-(phenylmethyl)ethanamide Openeye Name: N-benzyl-2-[4-(4-bromo-3-methyl-phenyl)sulfonylpiperazin-1-yl]-N-methyl-acetamide CAS Name: 2-[4-(4-bromo-3-methylphenyl)sulfonyl-1-piperazinyl]-N-methyl-N-(phenylmethyl)acetamide IUPAC Name: N-benzyl-2-[4-(4-bromo-3-methylphenyl)sulfonylpiperazin-1-yl]-N-methylacetamide Traditional Name: N-benzyl-2-[4-(4-bromo-3-methyl-phenyl)sulfonylpiperazino]-N-methyl-acetamide Formula: C21H26BrN3O3S MolecularWeight: 480.41844

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)S(=O)(=O)N2CCN(CC2)CC(=O)N(C)CC3=CC=CC=C3)Br

Isomeric SMILES

CC1=C(C=CC(=C1)S(=O)(=O)N2CCN(CC2)CC(=O)N(C)CC3=CC=CC=C3)Br

InChI

InChI=1S/C21H26BrN3O3S/c1-17-14-19(8-9-20(17)22)29(27,28)25-12-10-24(11-13-25)16-21(26)23(2)15-18-6-4-3-5-7-18/h3-9,14H,10-13,15-16H2,1-2H3