N-(4-chlorophenyl)-4-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methylamino]-3-nitro-benzenesulfonamide

Systemtic Name: N-(4-chlorophenyl)-4-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methylamino]-3-nitro-benzenesulfonamide Openeye Name: N-(4-chlorophenyl)-4-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methylamino]-3-nitro-benzenesulfonamide CAS Name: N-(4-chlorophenyl)-4-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methylamino]-3-nitrobenzenesulfonamide IUPAC Name: N-(4-chlorophenyl)-4-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methylamino]-3-nitrobenzenesulfonamide Traditional Name: N-(4-chlorophenyl)-4-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methylamino]-3-nitro-benzenesulfonamide Formula: C21H18ClN3O6S MolecularWeight: 475.90212

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC2=CC=CC=C2O1)CNC3=C(C=C(C=C3)S(=O)(=O)NC4=CC=C(C=C4)Cl)[N+](=O)[O-]

Isomeric SMILES

C1[C@@H](OC2=CC=CC=C2O1)CNC3=C(C=C(C=C3)S(=O)(=O)NC4=CC=C(C=C4)Cl)[N+](=O)[O-]

InChI

InChI=1S/C21H18ClN3O6S/c22-14-5-7-15(8-6-14)24-32(28,29)17-9-10-18(19(11-17)25(26)27)23-12-16-13-30-20-3-1-2-4-21(20)31-16/h1-11,16,23-24H,12-13H2/t16-/m0/s1