2-bromanyl-4,5-dimethoxy-N-[2-(4-phenylpiperazin-1-yl)propyl]benzenesulfonamide

Systemtic Name: 2-bromanyl-4,5-dimethoxy-N-[2-(4-phenylpiperazin-1-yl)propyl]benzenesulfonamide Openeye Name: 2-bromo-4,5-dimethoxy-N-[2-(4-phenylpiperazin-1-yl)propyl]benzenesulfonamide CAS Name: 2-bromo-4,5-dimethoxy-N-[2-(4-phenyl-1-piperazinyl)propyl]benzenesulfonamide IUPAC Name: 2-bromo-4,5-dimethoxy-N-[2-(4-phenylpiperazin-1-yl)propyl]benzenesulfonamide Traditional Name: 2-bromo-4,5-dimethoxy-N-[2-(4-phenylpiperazino)propyl]benzenesulfonamide Formula: C21H28BrN3O4S MolecularWeight: 498.43372

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Descriptors Computed from Structure

Canonical SMILES:

CC(CNS(=O)(=O)C1=C(C=C(C(=C1)OC)OC)Br)N2CCN(CC2)C3=CC=CC=C3

Isomeric SMILES

CC(CNS(=O)(=O)C1=C(C=C(C(=C1)OC)OC)Br)N2CCN(CC2)C3=CC=CC=C3

InChI

InChI=1S/C21H28BrN3O4S/c1-16(24-9-11-25(12-10-24)17-7-5-4-6-8-17)15-23-30(26,27)21-14-20(29-3)19(28-2)13-18(21)22/h4-8,13-14,16,23H,9-12,15H2,1-3H3