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

Systemtic Name: 3-[[4-[4-(dimethylamino)butanoylamino]-2-phenylmethoxy-phenyl]sulfonylamino]-4,4-diethoxy-butanoic acid Openeye Name: 3-[[2-benzyloxy-4-[4-(dimethylamino)butanoylamino]phenyl]sulfonylamino]-4,4-diethoxy-butanoic acid CAS Name: 3-[[4-[[4-(dimethylamino)-1-oxobutyl]amino]-2-phenylmethoxyphenyl]sulfonylamino]-4,4-diethoxybutanoic acid IUPAC Name: 3-[[4-[4-(dimethylamino)butanoylamino]-2-phenylmethoxyphenyl]sulfonylamino]-4,4-diethoxybutanoic acid Traditional Name: 3-[[2-benzoxy-4-[4-(dimethylamino)butanoylamino]phenyl]sulfonylamino]-4,4-diethoxy-butyric acid Formula: C27H39N3O8S MolecularWeight: 565.67886

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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)CCCN(C)C)OCC2=CC=CC=C2)OCC

Isomeric SMILES

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

InChI

InChI=1S/C27H39N3O8S/c1-5-36-27(37-6-2)22(18-26(32)33)29-39(34,35)24-15-14-21(28-25(31)13-10-16-30(3)4)17-23(24)38-19-20-11-8-7-9-12-20/h7-9,11-12,14-15,17,22,27,29H,5-6,10,13,16,18-19H2,1-4H3,(H,28,31)(H,32,33)