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

Systemtic Name: methyl 2-[2-[1-(4-chlorophenyl)sulfonylpyrrolidin-2-yl]carbonylimino-5-nitro-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[2-[1-(4-chlorophenyl)sulfonylpyrrolidine-2-carbonyl]imino-5-nitro-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[2-[[1-(4-chlorophenyl)sulfonyl-2-pyrrolidinyl]-oxomethyl]imino-5-nitro-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[2-[1-(4-chlorophenyl)sulfonylpyrrolidine-2-carbonyl]imino-5-nitro-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[2-[1-(4-chlorophenyl)sulfonylprolyl]imino-5-nitro-1,3-benzothiazol-3-yl]acetic acid methyl ester Formula: C21H19ClN4O7S2 MolecularWeight: 538.98116

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CN1C2=C(C=CC(=C2)[N+](=O)[O-])SC1=NC(=O)C3CCCN3S(=O)(=O)C4=CC=C(C=C4)Cl

Isomeric SMILES

COC(=O)CN1C2=C(C=CC(=C2)[N+](=O)[O-])SC1=NC(=O)C3CCCN3S(=O)(=O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C21H19ClN4O7S2/c1-33-19(27)12-24-17-11-14(26(29)30)6-9-18(17)34-21(24)23-20(28)16-3-2-10-25(16)35(31,32)15-7-4-13(22)5-8-15/h4-9,11,16H,2-3,10,12H2,1H3