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

Systemtic Name: 4-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methylamino]-3-nitro-N-propan-2-yl-benzenesulfonamide Openeye Name: 4-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methylamino]-N-isopropyl-3-nitro-benzenesulfonamide CAS Name: 4-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methylamino]-3-nitro-N-propan-2-ylbenzenesulfonamide IUPAC Name: 4-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methylamino]-3-nitro-N-propan-2-ylbenzenesulfonamide Traditional Name: 4-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methylamino]-N-isopropyl-3-nitro-benzenesulfonamide Formula: C18H21N3O6S MolecularWeight: 407.44084

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21N3O6S/c1-12(2)20-28(24,25)14-7-8-15(16(9-14)21(22)23)19-10-13-11-26-17-5-3-4-6-18(17)27-13/h3-9,12-13,19-20H,10-11H2,1-2H3/t13-/m0/s1