N-(3-bromophenyl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]propanamide

Systemtic Name: N-(3-bromophenyl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]propanamide Openeye Name: N-(3-bromophenyl)-2-[4-(p-tolylsulfonyl)piperazin-1-yl]propanamide CAS Name: N-(3-bromophenyl)-2-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]propanamide IUPAC Name: N-(3-bromophenyl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]propanamide Traditional Name: N-(3-bromophenyl)-2-(4-tosylpiperazino)propionamide Formula: C20H24BrN3O3S MolecularWeight: 466.39186

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(C)C(=O)NC3=CC(=CC=C3)Br

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(C)C(=O)NC3=CC(=CC=C3)Br

InChI

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