methyl 2-[2-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]carbonylimino-6-methoxy-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: methyl 2-[2-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]carbonylimino-6-methoxy-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[2-[1-(4-chlorophenyl)sulfonylpiperidine-4-carbonyl]imino-6-methoxy-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[2-[[1-(4-chlorophenyl)sulfonyl-4-piperidinyl]-oxomethyl]imino-6-methoxy-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[2-[1-(4-chlorophenyl)sulfonylpiperidine-4-carbonyl]imino-6-methoxy-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[2-[1-(4-chlorophenyl)sulfonylisonipecotoyl]imino-6-methoxy-1,3-benzothiazol-3-yl]acetic acid methyl ester Formula: C23H24ClN3O6S2 MolecularWeight: 538.03616

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N(C(=NC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)Cl)S2)CC(=O)OC

Isomeric SMILES

COC1=CC2=C(C=C1)N(C(=NC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)Cl)S2)CC(=O)OC

InChI

InChI=1S/C23H24ClN3O6S2/c1-32-17-5-8-19-20(13-17)34-23(27(19)14-21(28)33-2)25-22(29)15-9-11-26(12-10-15)35(30,31)18-6-3-16(24)4-7-18/h3-8,13,15H,9-12,14H2,1-2H3