N-[4-[4-[(2R)-4-phenylbutan-2-yl]piperazin-4-ium-1-yl]sulfonylphenyl]ethanamide

Systemtic Name: N-[4-[4-[(2R)-4-phenylbutan-2-yl]piperazin-4-ium-1-yl]sulfonylphenyl]ethanamide Openeye Name: N-[4-[4-[(1R)-1-methyl-3-phenyl-propyl]piperazin-4-ium-1-yl]sulfonylphenyl]acetamide CAS Name: N-[4-[[4-[(2R)-4-phenylbutan-2-yl]-1-piperazin-4-iumyl]sulfonyl]phenyl]acetamide IUPAC Name: N-[4-[4-[(2R)-4-phenylbutan-2-yl]piperazin-4-ium-1-yl]sulfonylphenyl]acetamide Traditional Name: N-[4-[4-[(1R)-1-methyl-3-phenyl-propyl]piperazin-4-ium-1-yl]sulfonylphenyl]acetamide Formula: C22H30N3O3S+ MolecularWeight: 416.5569

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=CC=C1)[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)NC(=O)C

Isomeric SMILES

C[C@H](CCC1=CC=CC=C1)[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)NC(=O)C

InChI

InChI=1S/C22H29N3O3S/c1-18(8-9-20-6-4-3-5-7-20)24-14-16-25(17-15-24)29(27,28)22-12-10-21(11-13-22)23-19(2)26/h3-7,10-13,18H,8-9,14-17H2,1-2H3,(H,23,26)/p+1/t18-/m1/s1