4-(1,3-benzothiazol-2-ylmethoxy)-N,N-diethyl-3-nitro-benzenesulfonamide

Systemtic Name: 4-(1,3-benzothiazol-2-ylmethoxy)-N,N-diethyl-3-nitro-benzenesulfonamide Openeye Name: 4-(1,3-benzothiazol-2-ylmethoxy)-N,N-diethyl-3-nitro-benzenesulfonamide CAS Name: 4-(1,3-benzothiazol-2-ylmethoxy)-N,N-diethyl-3-nitrobenzenesulfonamide IUPAC Name: 4-(1,3-benzothiazol-2-ylmethoxy)-N,N-diethyl-3-nitrobenzenesulfonamide Traditional Name: 4-(1,3-benzothiazol-2-ylmethoxy)-N,N-diethyl-3-nitro-benzenesulfonamide Formula: C18H19N3O5S2 MolecularWeight: 421.49056

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)OCC2=NC3=CC=CC=C3S2)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)OCC2=NC3=CC=CC=C3S2)[N+](=O)[O-]

InChI

InChI=1S/C18H19N3O5S2/c1-3-20(4-2)28(24,25)13-9-10-16(15(11-13)21(22)23)26-12-18-19-14-7-5-6-8-17(14)27-18/h5-11H,3-4,12H2,1-2H3