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

Systemtic Name: methyl 2-[2-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]carbonylimino-5-nitro-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[5-nitro-2-[1-(p-tolylsulfonyl)piperidine-4-carbonyl]imino-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[2-[[1-(4-methylphenyl)sulfonyl-4-piperidinyl]-oxomethyl]imino-5-nitro-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[2-[1-(4-methylphenyl)sulfonylpiperidine-4-carbonyl]imino-5-nitro-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[5-nitro-2-(1-tosylisonipecotoyl)imino-1,3-benzothiazol-3-yl]acetic acid methyl ester Formula: C23H24N4O7S2 MolecularWeight: 532.58926

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=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)N2CCC(CC2)C(=O)N=C3N(C4=C(S3)C=CC(=C4)[N+](=O)[O-])CC(=O)OC

InChI

InChI=1S/C23H24N4O7S2/c1-15-3-6-18(7-4-15)36(32,33)25-11-9-16(10-12-25)22(29)24-23-26(14-21(28)34-2)19-13-17(27(30)31)5-8-20(19)35-23/h3-8,13,16H,9-12,14H2,1-2H3