(2S)-2-[[6-chloranyl-3-(phenylsulfonylamino)pyridin-2-yl]methylamino]-3-phenyl-propanoic acid

Systemtic Name: (2S)-2-[[6-chloranyl-3-(phenylsulfonylamino)pyridin-2-yl]methylamino]-3-phenyl-propanoic acid Openeye Name: (2S)-2-[[3-(benzenesulfonamido)-6-chloro-2-pyridyl]methylamino]-3-phenyl-propanoic acid CAS Name: (2S)-2-[[3-(benzenesulfonamido)-6-chloro-2-pyridinyl]methylamino]-3-phenylpropanoic acid IUPAC Name: (2S)-2-[[3-(benzenesulfonamido)-6-chloropyridin-2-yl]methylamino]-3-phenylpropanoic acid Traditional Name: (2S)-2-[[3-(benzenesulfonamido)-6-chloro-2-pyridyl]methylamino]-3-phenyl-propionic acid Formula: C21H20ClN3O4S MolecularWeight: 445.9192

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)O)NCC2=C(C=CC(=N2)Cl)NS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)C[C@@H](C(=O)O)NCC2=C(C=CC(=N2)Cl)NS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H20ClN3O4S/c22-20-12-11-17(25-30(28,29)16-9-5-2-6-10-16)19(24-20)14-23-18(21(26)27)13-15-7-3-1-4-8-15/h1-12,18,23,25H,13-14H2,(H,26,27)/t18-/m0/s1