4-bromanyl-N-[(2S)-3-methyl-1-[4-(3-methylphenyl)piperazin-1-yl]-1-oxidanylidene-butan-2-yl]benzenesulfonamide

Systemtic Name: 4-bromanyl-N-[(2S)-3-methyl-1-[4-(3-methylphenyl)piperazin-1-yl]-1-oxidanylidene-butan-2-yl]benzenesulfonamide Openeye Name: 4-bromo-N-[(1S)-2-methyl-1-[4-(m-tolyl)piperazine-1-carbonyl]propyl]benzenesulfonamide CAS Name: 4-bromo-N-[(2S)-3-methyl-1-[4-(3-methylphenyl)-1-piperazinyl]-1-oxobutan-2-yl]benzenesulfonamide IUPAC Name: 4-bromo-N-[(2S)-3-methyl-1-[4-(3-methylphenyl)piperazin-1-yl]-1-oxobutan-2-yl]benzenesulfonamide Traditional Name: 4-bromo-N-[(1S)-2-methyl-1-[4-(m-tolyl)piperazine-1-carbonyl]propyl]benzenesulfonamide Formula: C22H28BrN3O3S MolecularWeight: 494.44502

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=CC(=CC=C1)N2CCN(CC2)C(=O)[C@H](C(C)C)NS(=O)(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C22H28BrN3O3S/c1-16(2)21(24-30(28,29)20-9-7-18(23)8-10-20)22(27)26-13-11-25(12-14-26)19-6-4-5-17(3)15-19/h4-10,15-16,21,24H,11-14H2,1-3H3/t21-/m0/s1