4-bromanyl-N-[3-(4-cyclopropylcarbonylpiperazin-1-yl)carbonylphenyl]benzenesulfonamide

Systemtic Name: 4-bromanyl-N-[3-(4-cyclopropylcarbonylpiperazin-1-yl)carbonylphenyl]benzenesulfonamide Openeye Name: 4-bromo-N-[3-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]phenyl]benzenesulfonamide CAS Name: 4-bromo-N-[3-[[4-[cyclopropyl(oxo)methyl]-1-piperazinyl]-oxomethyl]phenyl]benzenesulfonamide IUPAC Name: 4-bromo-N-[3-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]phenyl]benzenesulfonamide Traditional Name: 4-bromo-N-[3-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]phenyl]benzenesulfonamide Formula: C21H22BrN3O4S MolecularWeight: 492.38608

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C(=O)N2CCN(CC2)C(=O)C3=CC(=CC=C3)NS(=O)(=O)C4=CC=C(C=C4)Br

Isomeric SMILES

C1CC1C(=O)N2CCN(CC2)C(=O)C3=CC(=CC=C3)NS(=O)(=O)C4=CC=C(C=C4)Br

InChI

InChI=1S/C21H22BrN3O4S/c22-17-6-8-19(9-7-17)30(28,29)23-18-3-1-2-16(14-18)21(27)25-12-10-24(11-13-25)20(26)15-4-5-15/h1-3,6-9,14-15,23H,4-5,10-13H2