N-(4-bromanyl-2-methyl-phenyl)-2-[4-(phenylsulfonyl)piperazin-1-yl]propanamide

Systemtic Name: N-(4-bromanyl-2-methyl-phenyl)-2-[4-(phenylsulfonyl)piperazin-1-yl]propanamide Openeye Name: 2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(4-bromo-2-methyl-phenyl)propanamide CAS Name: 2-[4-(benzenesulfonyl)-1-piperazinyl]-N-(4-bromo-2-methylphenyl)propanamide IUPAC Name: 2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(4-bromo-2-methylphenyl)propanamide Traditional Name: 2-(4-besylpiperazino)-N-(4-bromo-2-methyl-phenyl)propionamide Formula: C20H24BrN3O3S MolecularWeight: 466.39186

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24BrN3O3S/c1-15-14-17(21)8-9-19(15)22-20(25)16(2)23-10-12-24(13-11-23)28(26,27)18-6-4-3-5-7-18/h3-9,14,16H,10-13H2,1-2H3,(H,22,25)