N-[(2R)-4-(4-phenylpiperazin-1-ium-1-yl)butan-2-yl]-4-propan-2-yl-benzenesulfonamide

Systemtic Name: N-[(2R)-4-(4-phenylpiperazin-1-ium-1-yl)butan-2-yl]-4-propan-2-yl-benzenesulfonamide Openeye Name: 4-isopropyl-N-[(1R)-1-methyl-3-(4-phenylpiperazin-1-ium-1-yl)propyl]benzenesulfonamide CAS Name: N-[(2R)-4-(4-phenyl-1-piperazin-1-iumyl)butan-2-yl]-4-propan-2-ylbenzenesulfonamide IUPAC Name: N-[(2R)-4-(4-phenylpiperazin-1-ium-1-yl)butan-2-yl]-4-propan-2-ylbenzenesulfonamide Traditional Name: 4-isopropyl-N-[(1R)-1-methyl-3-(4-phenylpiperazin-1-ium-1-yl)propyl]benzenesulfonamide Formula: C23H34N3O2S+ MolecularWeight: 416.59996

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)S(=O)(=O)NC(C)CC[NH+]2CCN(CC2)C3=CC=CC=C3

Isomeric SMILES

C[C@H](CC[NH+]1CCN(CC1)C2=CC=CC=C2)NS(=O)(=O)C3=CC=C(C=C3)C(C)C

InChI

InChI=1S/C23H33N3O2S/c1-19(2)21-9-11-23(12-10-21)29(27,28)24-20(3)13-14-25-15-17-26(18-16-25)22-7-5-4-6-8-22/h4-12,19-20,24H,13-18H2,1-3H3/p+1/t20-/m1/s1