(2S)-N-(4-methyl-1,3-benzothiazol-2-yl)-2-(4-nitrophenyl)sulfonyl-propanamide

Systemtic Name: (2S)-N-(4-methyl-1,3-benzothiazol-2-yl)-2-(4-nitrophenyl)sulfonyl-propanamide Openeye Name: (2S)-N-(4-methyl-1,3-benzothiazol-2-yl)-2-(4-nitrophenyl)sulfonyl-propanamide CAS Name: (2S)-N-(4-methyl-1,3-benzothiazol-2-yl)-2-(4-nitrophenyl)sulfonylpropanamide IUPAC Name: (2S)-N-(4-methyl-1,3-benzothiazol-2-yl)-2-(4-nitrophenyl)sulfonylpropanamide Traditional Name: (2S)-N-(4-methyl-1,3-benzothiazol-2-yl)-2-nosyl-propionamide Formula: C17H15N3O5S2 MolecularWeight: 405.4481

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)SC(=N2)NC(=O)C(C)S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C2C(=CC=C1)SC(=N2)NC(=O)[C@H](C)S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H15N3O5S2/c1-10-4-3-5-14-15(10)18-17(26-14)19-16(21)11(2)27(24,25)13-8-6-12(7-9-13)20(22)23/h3-9,11H,1-2H3,(H,18,19,21)/t11-/m0/s1