N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)-3-(phenylmethyl)sulfonyl-propanamide

Systemtic Name: N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)-3-(phenylmethyl)sulfonyl-propanamide Openeye Name: 3-benzylsulfonyl-N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)propanamide CAS Name: N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)-3-(phenylmethyl)sulfonylpropanamide IUPAC Name: 3-benzylsulfonyl-N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)propanamide Traditional Name: 3-benzylsulfonyl-N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)propionamide Formula: C18H17N3O6S2 MolecularWeight: 435.47408

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C(=CC(=C1)[N+](=O)[O-])SC(=N2)NC(=O)CCS(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

COC1=C2C(=CC(=C1)[N+](=O)[O-])SC(=N2)NC(=O)CCS(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C18H17N3O6S2/c1-27-14-9-13(21(23)24)10-15-17(14)20-18(28-15)19-16(22)7-8-29(25,26)11-12-5-3-2-4-6-12/h2-6,9-10H,7-8,11H2,1H3,(H,19,20,22)