4-[[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-methyl-amino]-N-methyl-3-nitro-benzenesulfonamide

Systemtic Name: 4-[[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-methyl-amino]-N-methyl-3-nitro-benzenesulfonamide Openeye Name: 4-[[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-methyl-amino]-N-methyl-3-nitro-benzenesulfonamide CAS Name: 4-[[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-methylamino]-N-methyl-3-nitrobenzenesulfonamide IUPAC Name: 4-[[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-methylamino]-N-methyl-3-nitrobenzenesulfonamide Traditional Name: 4-[[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-methyl-amino]-N-methyl-3-nitro-benzenesulfonamide Formula: C17H18N4O4S2 MolecularWeight: 406.47922

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC2=CC=CC=C2S1)N(C)C3=C(C=C(C=C3)S(=O)(=O)NC)[N+](=O)[O-]

Isomeric SMILES

C[C@H](C1=NC2=CC=CC=C2S1)N(C)C3=C(C=C(C=C3)S(=O)(=O)NC)[N+](=O)[O-]

InChI

InChI=1S/C17H18N4O4S2/c1-11(17-19-13-6-4-5-7-16(13)26-17)20(3)14-9-8-12(27(24,25)18-2)10-15(14)21(22)23/h4-11,18H,1-3H3/t11-/m1/s1