(3S)-3-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-ium-1-yl]oxolan-2-one

Systemtic Name: (3S)-3-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-ium-1-yl]oxolan-2-one Openeye Name: (3S)-3-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-ium-1-yl]tetrahydrofuran-2-one CAS Name: (3S)-3-[4-(2-methyl-5-nitrophenyl)sulfonyl-1-piperazin-1-iumyl]-2-oxolanone IUPAC Name: (3S)-3-[4-(2-methyl-5-nitrophenyl)sulfonylpiperazin-1-ium-1-yl]oxolan-2-one Traditional Name: (3S)-3-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-ium-1-yl]tetrahydrofuran-2-one Formula: C15H20N3O6S+ MolecularWeight: 370.4008

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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)C3CCOC3=O

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CC[NH+](CC2)[C@H]3CCOC3=O

InChI

InChI=1S/C15H19N3O6S/c1-11-2-3-12(18(20)21)10-14(11)25(22,23)17-7-5-16(6-8-17)13-4-9-24-15(13)19/h2-3,10,13H,4-9H2,1H3/p+1/t13-/m0/s1