(3-chloranyl-1-benzothiophen-2-yl)methyl 2-[(4-ethanoylphenyl)sulfonyl-methyl-amino]ethanoate

Systemtic Name: (3-chloranyl-1-benzothiophen-2-yl)methyl 2-[(4-ethanoylphenyl)sulfonyl-methyl-amino]ethanoate Openeye Name: (3-chlorobenzothiophen-2-yl)methyl 2-[(4-acetylphenyl)sulfonyl-methyl-amino]acetate CAS Name: 2-[(4-acetylphenyl)sulfonyl-methylamino]acetic acid (3-chloro-1-benzothiophen-2-yl)methyl ester IUPAC Name: (3-chloro-1-benzothiophen-2-yl)methyl 2-[(4-acetylphenyl)sulfonyl-methylamino]acetate Traditional Name: 2-[(4-acetylphenyl)sulfonyl-methyl-amino]acetic acid (3-chlorobenzothiophen-2-yl)methyl ester Formula: C20H18ClNO5S2 MolecularWeight: 451.94362

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)S(=O)(=O)N(C)CC(=O)OCC2=C(C3=CC=CC=C3S2)Cl

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)S(=O)(=O)N(C)CC(=O)OCC2=C(C3=CC=CC=C3S2)Cl

InChI

InChI=1S/C20H18ClNO5S2/c1-13(23)14-7-9-15(10-8-14)29(25,26)22(2)11-19(24)27-12-18-20(21)16-5-3-4-6-17(16)28-18/h3-10H,11-12H2,1-2H3