4-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-ethyl-amino]-N-methyl-3-nitro-benzenesulfonamide

Systemtic Name: 4-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-ethyl-amino]-N-methyl-3-nitro-benzenesulfonamide Openeye Name: 4-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-ethyl-amino]-N-methyl-3-nitro-benzenesulfonamide CAS Name: 4-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-ethylamino]-N-methyl-3-nitrobenzenesulfonamide IUPAC Name: 4-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-ethylamino]-N-methyl-3-nitrobenzenesulfonamide Traditional Name: 4-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-ethyl-amino]-N-methyl-3-nitro-benzenesulfonamide Formula: C18H21N3O6S MolecularWeight: 407.44084

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1COC2=CC=CC=C2O1)C3=C(C=C(C=C3)S(=O)(=O)NC)[N+](=O)[O-]

Isomeric SMILES

CCN(C[C@H]1COC2=CC=CC=C2O1)C3=C(C=C(C=C3)S(=O)(=O)NC)[N+](=O)[O-]

InChI

InChI=1S/C18H21N3O6S/c1-3-20(11-13-12-26-17-6-4-5-7-18(17)27-13)15-9-8-14(28(24,25)19-2)10-16(15)21(22)23/h4-10,13,19H,3,11-12H2,1-2H3/t13-/m0/s1