methyl 2-[2-[1-(5-chloranylthiophen-2-yl)sulfonylpiperidin-2-yl]carbonylimino-6-nitro-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: methyl 2-[2-[1-(5-chloranylthiophen-2-yl)sulfonylpiperidin-2-yl]carbonylimino-6-nitro-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[2-[1-[(5-chloro-2-thienyl)sulfonyl]piperidine-2-carbonyl]imino-6-nitro-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[2-[[1-[(5-chloro-2-thiophenyl)sulfonyl]-2-piperidinyl]-oxomethyl]imino-6-nitro-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[2-[1-(5-chlorothiophen-2-yl)sulfonylpiperidine-2-carbonyl]imino-6-nitro-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[2-[1-[(5-chloro-2-thienyl)sulfonyl]pipecoloyl]imino-6-nitro-1,3-benzothiazol-3-yl]acetic acid methyl ester Formula: C20H19ClN4O7S3 MolecularWeight: 559.03546

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CN1C2=C(C=C(C=C2)[N+](=O)[O-])SC1=NC(=O)C3CCCCN3S(=O)(=O)C4=CC=C(S4)Cl

Isomeric SMILES

COC(=O)CN1C2=C(C=C(C=C2)[N+](=O)[O-])SC1=NC(=O)C3CCCCN3S(=O)(=O)C4=CC=C(S4)Cl

InChI

InChI=1S/C20H19ClN4O7S3/c1-32-17(26)11-23-13-6-5-12(25(28)29)10-15(13)33-20(23)22-19(27)14-4-2-3-9-24(14)35(30,31)18-8-7-16(21)34-18/h5-8,10,14H,2-4,9,11H2,1H3