(2R)-N-(4-cyanophenyl)-2-[4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazin-1-ium-1-yl]propanamide

Systemtic Name: (2R)-N-(4-cyanophenyl)-2-[4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazin-1-ium-1-yl]propanamide Openeye Name: (2R)-N-(4-cyanophenyl)-2-[4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazin-1-ium-1-yl]propanamide CAS Name: (2R)-N-(4-cyanophenyl)-2-[4-(4-methoxy-3-nitrophenyl)sulfonyl-1-piperazin-1-iumyl]propanamide IUPAC Name: (2R)-N-(4-cyanophenyl)-2-[4-(4-methoxy-3-nitrophenyl)sulfonylpiperazin-1-ium-1-yl]propanamide Traditional Name: (2R)-N-(4-cyanophenyl)-2-[4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazin-1-ium-1-yl]propionamide Formula: C21H24N5O6S+ MolecularWeight: 474.51016

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N5O6S/c1-15(21(27)23-17-5-3-16(14-22)4-6-17)24-9-11-25(12-10-24)33(30,31)18-7-8-20(32-2)19(13-18)26(28)29/h3-8,13,15H,9-12H2,1-2H3,(H,23,27)/p+1/t15-/m1/s1