(3S)-1-(4-methoxyphenyl)-3-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)pyrrolidine-2,5-dione

Systemtic Name: (3S)-1-(4-methoxyphenyl)-3-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)pyrrolidine-2,5-dione Openeye Name: (3S)-1-(4-methoxyphenyl)-3-[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]pyrrolidine-2,5-dione CAS Name: (3S)-1-(4-methoxyphenyl)-3-(4-thiophen-2-ylsulfonyl-1-piperazin-1-iumyl)pyrrolidine-2,5-dione IUPAC Name: (3S)-1-(4-methoxyphenyl)-3-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)pyrrolidine-2,5-dione Traditional Name: (3S)-1-(4-methoxyphenyl)-3-[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]pyrrolidine-2,5-quinone Formula: C19H22N3O5S2+ MolecularWeight: 436.52508

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C(=O)CC(C2=O)[NH+]3CCN(CC3)S(=O)(=O)C4=CC=CS4

Isomeric SMILES

COC1=CC=C(C=C1)N2C(=O)C[C@@H](C2=O)[NH+]3CCN(CC3)S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C19H21N3O5S2/c1-27-15-6-4-14(5-7-15)22-17(23)13-16(19(22)24)20-8-10-21(11-9-20)29(25,26)18-3-2-12-28-18/h2-7,12,16H,8-11,13H2,1H3/p+1/t16-/m0/s1