(2S)-N-(3-methoxyphenyl)-2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-ium-1-yl]propanamide

Systemtic Name: (2S)-N-(3-methoxyphenyl)-2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-ium-1-yl]propanamide Openeye Name: (2S)-2-[4-(4-isopropylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-(3-methoxyphenyl)propanamide CAS Name: (2S)-N-(3-methoxyphenyl)-2-[4-(4-propan-2-ylphenyl)sulfonyl-1-piperazin-1-iumyl]propanamide IUPAC Name: (2S)-N-(3-methoxyphenyl)-2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-ium-1-yl]propanamide Traditional Name: (2S)-N-(3-methoxyphenyl)-2-(4-p-cumenylsulfonylpiperazin-1-ium-1-yl)propionamide Formula: C23H32N3O4S+ MolecularWeight: 446.58288

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)C(C)C(=O)NC3=CC(=CC=C3)OC

Isomeric SMILES

C[C@@H](C(=O)NC1=CC(=CC=C1)OC)[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C(C)C

InChI

InChI=1S/C23H31N3O4S/c1-17(2)19-8-10-22(11-9-19)31(28,29)26-14-12-25(13-15-26)18(3)23(27)24-20-6-5-7-21(16-20)30-4/h5-11,16-18H,12-15H2,1-4H3,(H,24,27)/p+1/t18-/m0/s1