2-[[4-[4-(dimethoxymethyl)piperidin-1-yl]sulfonylphenyl]carbamoylamino]-3-phenyl-propanoic acid

Systemtic Name: 2-[[4-[4-(dimethoxymethyl)piperidin-1-yl]sulfonylphenyl]carbamoylamino]-3-phenyl-propanoic acid Openeye Name: 2-[[4-[[4-(dimethoxymethyl)-1-piperidyl]sulfonyl]phenyl]carbamoylamino]-3-phenyl-propanoic acid CAS Name: 2-[[[4-[[4-(dimethoxymethyl)-1-piperidinyl]sulfonyl]anilino]-oxomethyl]amino]-3-phenylpropanoic acid IUPAC Name: 2-[[4-[4-(dimethoxymethyl)piperidin-1-yl]sulfonylphenyl]carbamoylamino]-3-phenylpropanoic acid Traditional Name: 2-[[4-[4-(dimethoxymethyl)piperidino]sulfonylphenyl]carbamoylamino]-3-phenyl-propionic acid Formula: C24H31N3O7S MolecularWeight: 505.58384

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Descriptors Computed from Structure

Canonical SMILES:

COC(C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)NC(CC3=CC=CC=C3)C(=O)O)OC

Isomeric SMILES

COC(C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)NC(CC3=CC=CC=C3)C(=O)O)OC

InChI

InChI=1S/C24H31N3O7S/c1-33-23(34-2)18-12-14-27(15-13-18)35(31,32)20-10-8-19(9-11-20)25-24(30)26-21(22(28)29)16-17-6-4-3-5-7-17/h3-11,18,21,23H,12-16H2,1-2H3,(H,28,29)(H2,25,26,30)