(2S)-N-(2-methoxy-5-methyl-phenyl)-2-[4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazin-1-ium-1-yl]propanamide

Systemtic Name: (2S)-N-(2-methoxy-5-methyl-phenyl)-2-[4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazin-1-ium-1-yl]propanamide Openeye Name: (2S)-N-(2-methoxy-5-methyl-phenyl)-2-[4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazin-1-ium-1-yl]propanamide CAS Name: (2S)-N-(2-methoxy-5-methylphenyl)-2-[4-(4-methoxy-3-nitrophenyl)sulfonyl-1-piperazin-1-iumyl]propanamide IUPAC Name: (2S)-N-(2-methoxy-5-methylphenyl)-2-[4-(4-methoxy-3-nitrophenyl)sulfonylpiperazin-1-ium-1-yl]propanamide Traditional Name: (2S)-N-(2-methoxy-5-methyl-phenyl)-2-[4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazin-1-ium-1-yl]propionamide Formula: C22H29N4O7S+ MolecularWeight: 493.55326

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)NC(=O)C(C)[NH+]2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)OC)NC(=O)[C@H](C)[NH+]2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)OC)[N+](=O)[O-]

InChI

InChI=1S/C22H28N4O7S/c1-15-5-7-20(32-3)18(13-15)23-22(27)16(2)24-9-11-25(12-10-24)34(30,31)17-6-8-21(33-4)19(14-17)26(28)29/h5-8,13-14,16H,9-12H2,1-4H3,(H,23,27)/p+1/t16-/m0/s1