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

Systemtic Name: (2R)-2-[4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazin-1-ium-1-yl]-N-(3-nitrophenyl)propanamide Openeye Name: (2R)-2-[4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazin-1-ium-1-yl]-N-(3-nitrophenyl)propanamide CAS Name: (2R)-2-[4-(4-methoxy-3-nitrophenyl)sulfonyl-1-piperazin-1-iumyl]-N-(3-nitrophenyl)propanamide IUPAC Name: (2R)-2-[4-(4-methoxy-3-nitrophenyl)sulfonylpiperazin-1-ium-1-yl]-N-(3-nitrophenyl)propanamide Traditional Name: (2R)-2-[4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazin-1-ium-1-yl]-N-(3-nitrophenyl)propionamide Formula: C20H24N5O8S+ MolecularWeight: 494.49826

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C20H23N5O8S/c1-14(20(26)21-15-4-3-5-16(12-15)24(27)28)22-8-10-23(11-9-22)34(31,32)17-6-7-19(33-2)18(13-17)25(29)30/h3-7,12-14H,8-11H2,1-2H3,(H,21,26)/p+1/t14-/m1/s1