3-[[4-(acetamidomethyl)phenyl]sulfonylamino]-3-(3,4-dimethoxyphenyl)propanoic acid

Systemtic Name: 3-[[4-(acetamidomethyl)phenyl]sulfonylamino]-3-(3,4-dimethoxyphenyl)propanoic acid Openeye Name: 3-[[4-(acetamidomethyl)phenyl]sulfonylamino]-3-(3,4-dimethoxyphenyl)propanoic acid CAS Name: 3-[[4-(acetamidomethyl)phenyl]sulfonylamino]-3-(3,4-dimethoxyphenyl)propanoic acid IUPAC Name: 3-[[4-(acetamidomethyl)phenyl]sulfonylamino]-3-(3,4-dimethoxyphenyl)propanoic acid Traditional Name: 3-[[4-(acetamidomethyl)phenyl]sulfonylamino]-3-(3,4-dimethoxyphenyl)propionic acid Formula: C20H24N2O7S MolecularWeight: 436.47876

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCC1=CC=C(C=C1)S(=O)(=O)NC(CC(=O)O)C2=CC(=C(C=C2)OC)OC

Isomeric SMILES

CC(=O)NCC1=CC=C(C=C1)S(=O)(=O)NC(CC(=O)O)C2=CC(=C(C=C2)OC)OC

InChI

InChI=1S/C20H24N2O7S/c1-13(23)21-12-14-4-7-16(8-5-14)30(26,27)22-17(11-20(24)25)15-6-9-18(28-2)19(10-15)29-3/h4-10,17,22H,11-12H2,1-3H3,(H,21,23)(H,24,25)