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

Systemtic Name: N-(6-nitro-1,3-benzothiazol-2-yl)-3-(phenylmethyl)sulfonyl-propanamide Openeye Name: 3-benzylsulfonyl-N-(6-nitro-1,3-benzothiazol-2-yl)propanamide CAS Name: N-(6-nitro-1,3-benzothiazol-2-yl)-3-(phenylmethyl)sulfonylpropanamide IUPAC Name: 3-benzylsulfonyl-N-(6-nitro-1,3-benzothiazol-2-yl)propanamide Traditional Name: 3-benzylsulfonyl-N-(6-nitro-1,3-benzothiazol-2-yl)propionamide Formula: C17H15N3O5S2 MolecularWeight: 405.4481

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CS(=O)(=O)CCC(=O)NC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CS(=O)(=O)CCC(=O)NC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H15N3O5S2/c21-16(8-9-27(24,25)11-12-4-2-1-3-5-12)19-17-18-14-7-6-13(20(22)23)10-15(14)26-17/h1-7,10H,8-9,11H2,(H,18,19,21)