(2S)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-2-(4-nitrophenoxy)propanamide

Systemtic Name: (2S)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-2-(4-nitrophenoxy)propanamide Openeye Name: (2S)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-2-(4-nitrophenoxy)propanamide CAS Name: (2S)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-2-(4-nitrophenoxy)propanamide IUPAC Name: (2S)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-2-(4-nitrophenoxy)propanamide Traditional Name: (2S)-N-(6-mesyl-1,3-benzothiazol-2-yl)-2-(4-nitrophenoxy)propionamide Formula: C17H15N3O6S2 MolecularWeight: 421.4475

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=NC2=C(S1)C=C(C=C2)S(=O)(=O)C)OC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C[C@@H](C(=O)NC1=NC2=C(S1)C=C(C=C2)S(=O)(=O)C)OC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H15N3O6S2/c1-10(26-12-5-3-11(4-6-12)20(22)23)16(21)19-17-18-14-8-7-13(28(2,24)25)9-15(14)27-17/h3-10H,1-2H3,(H,18,19,21)/t10-/m0/s1