N-(4-morpholin-4-ylsulfonyl-2-nitro-phenyl)-3,4-dihydro-2H-1,5-benzodioxepin-7-amine

Systemtic Name: N-(4-morpholin-4-ylsulfonyl-2-nitro-phenyl)-3,4-dihydro-2H-1,5-benzodioxepin-7-amine Openeye Name: N-(4-morpholinosulfonyl-2-nitro-phenyl)-3,4-dihydro-2H-1,5-benzodioxepin-7-amine CAS Name: N-[4-(4-morpholinylsulfonyl)-2-nitrophenyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-amine IUPAC Name: N-(4-morpholin-4-ylsulfonyl-2-nitrophenyl)-3,4-dihydro-2H-1,5-benzodioxepin-7-amine Traditional Name: 3,4-dihydro-2H-1,5-benzodioxepin-7-yl-(4-morpholinosulfonyl-2-nitro-phenyl)amine Formula: C19H21N3O7S MolecularWeight: 435.45094

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)NC3=C(C=C(C=C3)S(=O)(=O)N4CCOCC4)[N+](=O)[O-])OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)NC3=C(C=C(C=C3)S(=O)(=O)N4CCOCC4)[N+](=O)[O-])OC1

InChI

InChI=1S/C19H21N3O7S/c23-22(24)17-13-15(30(25,26)21-6-10-27-11-7-21)3-4-16(17)20-14-2-5-18-19(12-14)29-9-1-8-28-18/h2-5,12-13,20H,1,6-11H2