N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-propyl]-4-morpholin-4-ylsulfonyl-2-nitro-aniline

Systemtic Name: N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-propyl]-4-morpholin-4-ylsulfonyl-2-nitro-aniline Openeye Name: N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-propyl]-4-morpholinosulfonyl-2-nitro-aniline CAS Name: N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methylpropyl]-4-(4-morpholinylsulfonyl)-2-nitroaniline IUPAC Name: N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methylpropyl]-4-morpholin-4-ylsulfonyl-2-nitroaniline Traditional Name: [1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-propyl]-(4-morpholinosulfonyl-2-nitro-phenyl)amine Formula: C23H29N3O7S MolecularWeight: 491.55726

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C1=CC2=C(C=C1)OCCCO2)NC3=C(C=C(C=C3)S(=O)(=O)N4CCOCC4)[N+](=O)[O-]

Isomeric SMILES

CC(C)C(C1=CC2=C(C=C1)OCCCO2)NC3=C(C=C(C=C3)S(=O)(=O)N4CCOCC4)[N+](=O)[O-]

InChI

InChI=1S/C23H29N3O7S/c1-16(2)23(17-4-7-21-22(14-17)33-11-3-10-32-21)24-19-6-5-18(15-20(19)26(27)28)34(29,30)25-8-12-31-13-9-25/h4-7,14-16,23-24H,3,8-13H2,1-2H3