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

Systemtic Name: methyl 2-[6-butyl-2-[1-(4-chlorophenyl)sulfonylpyrrolidin-2-yl]carbonylimino-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[6-butyl-2-[1-(4-chlorophenyl)sulfonylpyrrolidine-2-carbonyl]imino-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[6-butyl-2-[[1-(4-chlorophenyl)sulfonyl-2-pyrrolidinyl]-oxomethyl]imino-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[6-butyl-2-[1-(4-chlorophenyl)sulfonylpyrrolidine-2-carbonyl]imino-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[6-butyl-2-[1-(4-chlorophenyl)sulfonylprolyl]imino-1,3-benzothiazol-3-yl]acetic acid methyl ester Formula: C25H28ClN3O5S2 MolecularWeight: 550.08992

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2=C(C=C1)N(C(=NC(=O)C3CCCN3S(=O)(=O)C4=CC=C(C=C4)Cl)S2)CC(=O)OC

Isomeric SMILES

CCCCC1=CC2=C(C=C1)N(C(=NC(=O)C3CCCN3S(=O)(=O)C4=CC=C(C=C4)Cl)S2)CC(=O)OC

InChI

InChI=1S/C25H28ClN3O5S2/c1-3-4-6-17-8-13-20-22(15-17)35-25(28(20)16-23(30)34-2)27-24(31)21-7-5-14-29(21)36(32,33)19-11-9-18(26)10-12-19/h8-13,15,21H,3-7,14,16H2,1-2H3