4-[(2R)-4-methyl-2-phenyl-piperazin-4-ium-1-yl]carbonyl-N-propan-2-yl-benzenesulfonamide

Systemtic Name: 4-[(2R)-4-methyl-2-phenyl-piperazin-4-ium-1-yl]carbonyl-N-propan-2-yl-benzenesulfonamide Openeye Name: N-isopropyl-4-[(2R)-4-methyl-2-phenyl-piperazin-4-ium-1-carbonyl]benzenesulfonamide CAS Name: 4-[[(2R)-4-methyl-2-phenyl-1-piperazin-4-iumyl]-oxomethyl]-N-propan-2-ylbenzenesulfonamide IUPAC Name: 4-[(2R)-4-methyl-2-phenylpiperazin-4-ium-1-carbonyl]-N-propan-2-ylbenzenesulfonamide Traditional Name: N-isopropyl-4-[(2R)-4-methyl-2-phenyl-piperazin-4-ium-1-carbonyl]benzenesulfonamide Formula: C21H28N3O3S+ MolecularWeight: 402.53032

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NS(=O)(=O)C1=CC=C(C=C1)C(=O)N2CC[NH+](CC2C3=CC=CC=C3)C

Isomeric SMILES

CC(C)NS(=O)(=O)C1=CC=C(C=C1)C(=O)N2CC[NH+](C[C@H]2C3=CC=CC=C3)C

InChI

InChI=1S/C21H27N3O3S/c1-16(2)22-28(26,27)19-11-9-18(10-12-19)21(25)24-14-13-23(3)15-20(24)17-7-5-4-6-8-17/h4-12,16,20,22H,13-15H2,1-3H3/p+1/t20-/m0/s1