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

Systemtic Name: (2S)-N-(1-adamantyl)-2-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-ium-1-yl]propanamide Openeye Name: (2S)-N-(1-adamantyl)-2-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-ium-1-yl]propanamide CAS Name: (2S)-N-(1-adamantyl)-2-[4-(2-methyl-5-nitrophenyl)sulfonyl-1-piperazin-1-iumyl]propanamide IUPAC Name: (2S)-N-(1-adamantyl)-2-[4-(2-methyl-5-nitrophenyl)sulfonylpiperazin-1-ium-1-yl]propanamide Traditional Name: (2S)-N-(1-adamantyl)-2-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-ium-1-yl]propionamide Formula: C24H35N4O5S+ MolecularWeight: 491.6235

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CC[NH+](CC2)C(C)C(=O)NC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CC[NH+](CC2)[C@@H](C)C(=O)NC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C24H34N4O5S/c1-16-3-4-21(28(30)31)12-22(16)34(32,33)27-7-5-26(6-8-27)17(2)23(29)25-24-13-18-9-19(14-24)11-20(10-18)15-24/h3-4,12,17-20H,5-11,13-15H2,1-2H3,(H,25,29)/p+1/t17-,18?,19?,20?,24?/m0/s1