3-[[4-(4-chloranylbutanoylamino)-2-phenylmethoxy-phenyl]sulfonylamino]-4,4-diethoxy-butanoic acid

Systemtic Name: 3-[[4-(4-chloranylbutanoylamino)-2-phenylmethoxy-phenyl]sulfonylamino]-4,4-diethoxy-butanoic acid Openeye Name: 3-[[2-benzyloxy-4-(4-chlorobutanoylamino)phenyl]sulfonylamino]-4,4-diethoxy-butanoic acid CAS Name: 3-[[4-[(4-chloro-1-oxobutyl)amino]-2-phenylmethoxyphenyl]sulfonylamino]-4,4-diethoxybutanoic acid IUPAC Name: 3-[[4-(4-chlorobutanoylamino)-2-phenylmethoxyphenyl]sulfonylamino]-4,4-diethoxybutanoic acid Traditional Name: 3-[[2-benzoxy-4-(4-chlorobutanoylamino)phenyl]sulfonylamino]-4,4-diethoxy-butyric acid Formula: C25H33ClN2O8S MolecularWeight: 557.05612

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(C(CC(=O)O)NS(=O)(=O)C1=C(C=C(C=C1)NC(=O)CCCCl)OCC2=CC=CC=C2)OCC

Isomeric SMILES

CCOC(C(CC(=O)O)NS(=O)(=O)C1=C(C=C(C=C1)NC(=O)CCCCl)OCC2=CC=CC=C2)OCC

InChI

InChI=1S/C25H33ClN2O8S/c1-3-34-25(35-4-2)20(16-24(30)31)28-37(32,33)22-13-12-19(27-23(29)11-8-14-26)15-21(22)36-17-18-9-6-5-7-10-18/h5-7,9-10,12-13,15,20,25,28H,3-4,8,11,14,16-17H2,1-2H3,(H,27,29)(H,30,31)