4-nitro-2-pyridin-3-yl-4-(2-sulfinodecanoylamino)butanethioic S-acid

Systemtic Name: 4-nitro-2-pyridin-3-yl-4-(2-sulfinodecanoylamino)butanethioic S-acid Openeye Name: 4-nitro-2-(3-pyridyl)-4-(2-sulfinodecanoylamino)butanethioic S-acid CAS Name: 4-nitro-4-[(1-oxo-2-sulfinodecyl)amino]-2-(3-pyridinyl)butanethioic S-acid IUPAC Name: 4-nitro-2-pyridin-3-yl-4-(2-sulfinodecanoylamino)butanethioic S-acid Traditional Name: 4-nitro-2-(3-pyridyl)-4-(2-sulfinodecanoylamino)thiobutyric acid Formula: C19H29N3O6S2 MolecularWeight: 459.58006

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(C(=O)NC(CC(C1=CN=CC=C1)C(=O)S)[N+](=O)[O-])S(=O)O

Isomeric SMILES

CCCCCCCCC(C(=O)NC(CC(C1=CN=CC=C1)C(=O)S)[N+](=O)[O-])S(=O)O

InChI

InChI=1S/C19H29N3O6S2/c1-2-3-4-5-6-7-10-16(30(27)28)18(23)21-17(22(25)26)12-15(19(24)29)14-9-8-11-20-13-14/h8-9,11,13,15-17H,2-7,10,12H2,1H3,(H,21,23)(H,24,29)(H,27,28)