4-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methylamino]-3-nitro-benzenesulfonamide

Systemtic Name: 4-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methylamino]-3-nitro-benzenesulfonamide Openeye Name: 4-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methylamino]-3-nitro-benzenesulfonamide CAS Name: 4-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methylamino]-3-nitrobenzenesulfonamide IUPAC Name: 4-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methylamino]-3-nitrobenzenesulfonamide Traditional Name: 4-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methylamino]-3-nitro-benzenesulfonamide Formula: C20H23N3O6S MolecularWeight: 433.47812

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)(CNC2=C(C=C(C=C2)S(=O)(=O)N)[N+](=O)[O-])C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

C1CCC(C1)(CNC2=C(C=C(C=C2)S(=O)(=O)N)[N+](=O)[O-])C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C20H23N3O6S/c21-30(26,27)15-4-5-16(17(12-15)23(24)25)22-13-20(7-1-2-8-20)14-3-6-18-19(11-14)29-10-9-28-18/h3-6,11-12,22H,1-2,7-10,13H2,(H2,21,26,27)