methyl 2-[2-[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]carbonylimino-5-nitro-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: methyl 2-[2-[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]carbonylimino-5-nitro-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[5-nitro-2-[1-(p-tolylsulfonyl)pyrrolidine-2-carbonyl]imino-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[2-[[1-(4-methylphenyl)sulfonyl-2-pyrrolidinyl]-oxomethyl]imino-5-nitro-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[2-[1-(4-methylphenyl)sulfonylpyrrolidine-2-carbonyl]imino-5-nitro-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[5-nitro-2-(1-tosylprolyl)imino-1,3-benzothiazol-3-yl]acetic acid methyl ester Formula: C22H22N4O7S2 MolecularWeight: 518.56268

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC2C(=O)N=C3N(C4=C(S3)C=CC(=C4)[N+](=O)[O-])CC(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC2C(=O)N=C3N(C4=C(S3)C=CC(=C4)[N+](=O)[O-])CC(=O)OC

InChI

InChI=1S/C22H22N4O7S2/c1-14-5-8-16(9-6-14)35(31,32)25-11-3-4-17(25)21(28)23-22-24(13-20(27)33-2)18-12-15(26(29)30)7-10-19(18)34-22/h5-10,12,17H,3-4,11,13H2,1-2H3