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

Systemtic Name: methyl 2-[2-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]carbonylimino-6-methylsulfonyl-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[2-[1-(4-chlorophenyl)sulfonylpiperidine-4-carbonyl]imino-6-methylsulfonyl-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[2-[[1-(4-chlorophenyl)sulfonyl-4-piperidinyl]-oxomethyl]imino-6-methylsulfonyl-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[2-[1-(4-chlorophenyl)sulfonylpiperidine-4-carbonyl]imino-6-methylsulfonyl-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[2-[1-(4-chlorophenyl)sulfonylisonipecotoyl]imino-6-mesyl-1,3-benzothiazol-3-yl]acetic acid methyl ester Formula: C23H24ClN3O7S3 MolecularWeight: 586.10056

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CN1C2=C(C=C(C=C2)S(=O)(=O)C)SC1=NC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)Cl

Isomeric SMILES

COC(=O)CN1C2=C(C=C(C=C2)S(=O)(=O)C)SC1=NC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C23H24ClN3O7S3/c1-34-21(28)14-27-19-8-7-18(36(2,30)31)13-20(19)35-23(27)25-22(29)15-9-11-26(12-10-15)37(32,33)17-5-3-16(24)4-6-17/h3-8,13,15H,9-12,14H2,1-2H3