3-[[4-oxidanylidene-4-(2-piperidin-4-ylethylamino)butyl]amino]-2-(phenylsulfonylamino)propanoic acid

Systemtic Name: 3-[[4-oxidanylidene-4-(2-piperidin-4-ylethylamino)butyl]amino]-2-(phenylsulfonylamino)propanoic acid Openeye Name: 2-(benzenesulfonamido)-3-[[4-oxo-4-[2-(4-piperidyl)ethylamino]butyl]amino]propanoic acid CAS Name: 2-(benzenesulfonamido)-3-[[4-oxo-4-[2-(4-piperidinyl)ethylamino]butyl]amino]propanoic acid IUPAC Name: 2-(benzenesulfonamido)-3-[[4-oxo-4-(2-piperidin-4-ylethylamino)butyl]amino]propanoic acid Traditional Name: 2-(benzenesulfonamido)-3-[[4-keto-4-[2-(4-piperidyl)ethylamino]butyl]amino]propionic acid Formula: C20H32N4O5S MolecularWeight: 440.55688

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1CCNC(=O)CCCNCC(C(=O)O)NS(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

C1CNCCC1CCNC(=O)CCCNCC(C(=O)O)NS(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C20H32N4O5S/c25-19(23-14-10-16-8-12-21-13-9-16)7-4-11-22-15-18(20(26)27)24-30(28,29)17-5-2-1-3-6-17/h1-3,5-6,16,18,21-22,24H,4,7-15H2,(H,23,25)(H,26,27)