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

Systemtic Name: (2R)-2-[4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazin-1-ium-1-yl]-N-[(1R)-1-phenylethyl]propanamide Openeye Name: (2R)-2-[4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazin-1-ium-1-yl]-N-[(1R)-1-phenylethyl]propanamide CAS Name: (2R)-2-[4-(4-methoxy-3-nitrophenyl)sulfonyl-1-piperazin-1-iumyl]-N-[(1R)-1-phenylethyl]propanamide IUPAC Name: (2R)-2-[4-(4-methoxy-3-nitrophenyl)sulfonylpiperazin-1-ium-1-yl]-N-[(1R)-1-phenylethyl]propanamide Traditional Name: (2R)-2-[4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazin-1-ium-1-yl]-N-[(1R)-1-phenylethyl]propionamide Formula: C22H29N4O6S+ MolecularWeight: 477.55386

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N4O6S/c1-16(18-7-5-4-6-8-18)23-22(27)17(2)24-11-13-25(14-12-24)33(30,31)19-9-10-21(32-3)20(15-19)26(28)29/h4-10,15-17H,11-14H2,1-3H3,(H,23,27)/p+1/t16-,17-/m1/s1