3-[[2-aminocarbonyl-5-(2-piperidin-4-ylethoxy)phenyl]-(phenylsulfonyl)amino]propanoic acid

Systemtic Name: 3-[[2-aminocarbonyl-5-(2-piperidin-4-ylethoxy)phenyl]-(phenylsulfonyl)amino]propanoic acid Openeye Name: 3-[N-(benzenesulfonyl)-2-carbamoyl-5-[2-(4-piperidyl)ethoxy]anilino]propanoic acid CAS Name: 3-[N-(benzenesulfonyl)-2-carbamoyl-5-[2-(4-piperidinyl)ethoxy]anilino]propanoic acid IUPAC Name: 3-[N-(benzenesulfonyl)-2-carbamoyl-5-(2-piperidin-4-ylethoxy)anilino]propanoic acid Traditional Name: 3-[N-besyl-2-carbamoyl-5-[2-(4-piperidyl)ethoxy]anilino]propionic acid Formula: C23H29N3O6S MolecularWeight: 475.55786

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1CCOC2=CC(=C(C=C2)C(=O)N)N(CCC(=O)O)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C1CNCCC1CCOC2=CC(=C(C=C2)C(=O)N)N(CCC(=O)O)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C23H29N3O6S/c24-23(29)20-7-6-18(32-15-11-17-8-12-25-13-9-17)16-21(20)26(14-10-22(27)28)33(30,31)19-4-2-1-3-5-19/h1-7,16-17,25H,8-15H2,(H2,24,29)(H,27,28)