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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)C(C)[NH+]2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)OC)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)[C@H](C)[NH+]2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)OC)[N+](=O)[O-]

InChI

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