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

Systemtic Name: N-tert-butyl-4-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methylamino]-3-nitro-benzenesulfonamide Openeye Name: N-tert-butyl-4-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methylamino]-3-nitro-benzenesulfonamide CAS Name: N-tert-butyl-4-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methylamino]-3-nitrobenzenesulfonamide IUPAC Name: N-tert-butyl-4-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methylamino]-3-nitrobenzenesulfonamide Traditional Name: N-tert-butyl-4-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methylamino]-3-nitro-benzenesulfonamide Formula: C19H23N3O6S MolecularWeight: 421.46742

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NS(=O)(=O)C1=CC(=C(C=C1)NCC2COC3=CC=CC=C3O2)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)NS(=O)(=O)C1=CC(=C(C=C1)NC[C@H]2COC3=CC=CC=C3O2)[N+](=O)[O-]

InChI

InChI=1S/C19H23N3O6S/c1-19(2,3)21-29(25,26)14-8-9-15(16(10-14)22(23)24)20-11-13-12-27-17-6-4-5-7-18(17)28-13/h4-10,13,20-21H,11-12H2,1-3H3/t13-/m0/s1