methyl 2-[2-(4-piperidin-1-ylsulfonylphenyl)carbonyliminobenzo[g][1,3]benzothiazol-3-yl]ethanoate

Systemtic Name: methyl 2-[2-(4-piperidin-1-ylsulfonylphenyl)carbonyliminobenzo[g][1,3]benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[2-[4-(1-piperidylsulfonyl)benzoyl]iminobenzo[g][1,3]benzothiazol-3-yl]acetate CAS Name: 2-[2-[oxo-[4-(1-piperidinylsulfonyl)phenyl]methyl]imino-3-benzo[g][1,3]benzothiazolyl]acetic acid methyl ester IUPAC Name: methyl 2-[2-(4-piperidin-1-ylsulfonylbenzoyl)iminobenzo[g][1,3]benzothiazol-3-yl]acetate Traditional Name: 2-[2-(4-piperidinosulfonylbenzoyl)iminobenzo[g][1,3]benzothiazol-3-yl]acetic acid methyl ester Formula: C26H25N3O5S2 MolecularWeight: 523.6238

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CN1C2=C(C3=CC=CC=C3C=C2)SC1=NC(=O)C4=CC=C(C=C4)S(=O)(=O)N5CCCCC5

Isomeric SMILES

COC(=O)CN1C2=C(C3=CC=CC=C3C=C2)SC1=NC(=O)C4=CC=C(C=C4)S(=O)(=O)N5CCCCC5

InChI

InChI=1S/C26H25N3O5S2/c1-34-23(30)17-29-22-14-11-18-7-3-4-8-21(18)24(22)35-26(29)27-25(31)19-9-12-20(13-10-19)36(32,33)28-15-5-2-6-16-28/h3-4,7-14H,2,5-6,15-17H2,1H3