4-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(ethyl)amino]-N-methyl-3-nitro-benzenesulfonamide

Systemtic Name: 4-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(ethyl)amino]-N-methyl-3-nitro-benzenesulfonamide Openeye Name: 4-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(ethyl)amino]-N-methyl-3-nitro-benzenesulfonamide CAS Name: 4-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(ethyl)amino]-N-methyl-3-nitrobenzenesulfonamide IUPAC Name: 4-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(ethyl)amino]-N-methyl-3-nitrobenzenesulfonamide Traditional Name: 4-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(ethyl)amino]-N-methyl-3-nitro-benzenesulfonamide Formula: C18H21N3O6S MolecularWeight: 407.44084

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC2=C(C=C1)OCCO2)C3=C(C=C(C=C3)S(=O)(=O)NC)[N+](=O)[O-]

Isomeric SMILES

CCN(CC1=CC2=C(C=C1)OCCO2)C3=C(C=C(C=C3)S(=O)(=O)NC)[N+](=O)[O-]

InChI

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