methyl 2-(2-chloranylethanoylamino)-3,3-dimethyl-4-(4-phenoxyphenyl)sulfonyl-butanoate

Systemtic Name: methyl 2-(2-chloranylethanoylamino)-3,3-dimethyl-4-(4-phenoxyphenyl)sulfonyl-butanoate Openeye Name: methyl 2-[(2-chloroacetyl)amino]-3,3-dimethyl-4-(4-phenoxyphenyl)sulfonyl-butanoate CAS Name: 2-[(2-chloro-1-oxoethyl)amino]-3,3-dimethyl-4-(4-phenoxyphenyl)sulfonylbutanoic acid methyl ester IUPAC Name: methyl 2-[(2-chloroacetyl)amino]-3,3-dimethyl-4-(4-phenoxyphenyl)sulfonylbutanoate Traditional Name: 2-[(2-chloroacetyl)amino]-3,3-dimethyl-4-(4-phenoxyphenyl)sulfonyl-butyric acid methyl ester Formula: C21H24ClNO6S MolecularWeight: 453.93636

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CS(=O)(=O)C1=CC=C(C=C1)OC2=CC=CC=C2)C(C(=O)OC)NC(=O)CCl

Isomeric SMILES

CC(C)(CS(=O)(=O)C1=CC=C(C=C1)OC2=CC=CC=C2)C(C(=O)OC)NC(=O)CCl

InChI

InChI=1S/C21H24ClNO6S/c1-21(2,19(20(25)28-3)23-18(24)13-22)14-30(26,27)17-11-9-16(10-12-17)29-15-7-5-4-6-8-15/h4-12,19H,13-14H2,1-3H3,(H,23,24)