3-[(2-aminocarbonylphenyl)-[4-(2-piperidin-4-ylethoxy)butylsulfonyl]amino]propanoic acid

Systemtic Name: 3-[(2-aminocarbonylphenyl)-[4-(2-piperidin-4-ylethoxy)butylsulfonyl]amino]propanoic acid Openeye Name: 3-[2-carbamoyl-N-[4-[2-(4-piperidyl)ethoxy]butylsulfonyl]anilino]propanoic acid CAS Name: 3-[2-carbamoyl-N-[4-[2-(4-piperidinyl)ethoxy]butylsulfonyl]anilino]propanoic acid IUPAC Name: 3-[2-carbamoyl-N-[4-(2-piperidin-4-ylethoxy)butylsulfonyl]anilino]propanoic acid Traditional Name: 3-[2-carbamoyl-N-[4-[2-(4-piperidyl)ethoxy]butylsulfonyl]anilino]propionic acid Formula: C21H33N3O6S MolecularWeight: 455.56822

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1CCOCCCCS(=O)(=O)N(CCC(=O)O)C2=CC=CC=C2C(=O)N

Isomeric SMILES

C1CNCCC1CCOCCCCS(=O)(=O)N(CCC(=O)O)C2=CC=CC=C2C(=O)N

InChI

InChI=1S/C21H33N3O6S/c22-21(27)18-5-1-2-6-19(18)24(13-9-20(25)26)31(28,29)16-4-3-14-30-15-10-17-7-11-23-12-8-17/h1-2,5-6,17,23H,3-4,7-16H2,(H2,22,27)(H,25,26)