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

Systemtic Name: methyl 2-[2-(4-pyrrolidin-1-ylsulfonylphenyl)carbonyliminobenzo[g][1,3]benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[2-(4-pyrrolidin-1-ylsulfonylbenzoyl)iminobenzo[g][1,3]benzothiazol-3-yl]acetate CAS Name: 2-[2-[oxo-[4-(1-pyrrolidinylsulfonyl)phenyl]methyl]imino-3-benzo[g][1,3]benzothiazolyl]acetic acid methyl ester IUPAC Name: methyl 2-[2-(4-pyrrolidin-1-ylsulfonylbenzoyl)iminobenzo[g][1,3]benzothiazol-3-yl]acetate Traditional Name: 2-[2-(4-pyrrolidinosulfonylbenzoyl)iminobenzo[g][1,3]benzothiazol-3-yl]acetic acid methyl ester Formula: C25H23N3O5S2 MolecularWeight: 509.59722

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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)N5CCCC5

Isomeric SMILES

COC(=O)CN1C2=C(C3=CC=CC=C3C=C2)SC1=NC(=O)C4=CC=C(C=C4)S(=O)(=O)N5CCCC5

InChI

InChI=1S/C25H23N3O5S2/c1-33-22(29)16-28-21-13-10-17-6-2-3-7-20(17)23(21)34-25(28)26-24(30)18-8-11-19(12-9-18)35(31,32)27-14-4-5-15-27/h2-3,6-13H,4-5,14-16H2,1H3