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

Systemtic Name: (2R)-N-(3-nitrophenyl)-2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-ium-1-yl]propanamide Openeye Name: (2R)-2-[4-(4-isopropylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-(3-nitrophenyl)propanamide CAS Name: (2R)-N-(3-nitrophenyl)-2-[4-(4-propan-2-ylphenyl)sulfonyl-1-piperazin-1-iumyl]propanamide IUPAC Name: (2R)-N-(3-nitrophenyl)-2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-ium-1-yl]propanamide Traditional Name: (2R)-N-(3-nitrophenyl)-2-(4-p-cumenylsulfonylpiperazin-1-ium-1-yl)propionamide Formula: C22H29N4O5S+ MolecularWeight: 461.55446

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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)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C22H28N4O5S/c1-16(2)18-7-9-21(10-8-18)32(30,31)25-13-11-24(12-14-25)17(3)22(27)23-19-5-4-6-20(15-19)26(28)29/h4-10,15-17H,11-14H2,1-3H3,(H,23,27)/p+1/t17-/m1/s1