4-(azepan-1-ylsulfonyl)-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methyl-2-nitro-aniline

Systemtic Name: 4-(azepan-1-ylsulfonyl)-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methyl-2-nitro-aniline Openeye Name: 4-(azepan-1-ylsulfonyl)-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methyl-2-nitro-aniline CAS Name: 4-(1-azepanylsulfonyl)-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methyl-2-nitroaniline IUPAC Name: 4-(azepan-1-ylsulfonyl)-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methyl-2-nitroaniline Traditional Name: [4-(azepan-1-ylsulfonyl)-2-nitro-phenyl]-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-methyl-amine Formula: C22H27N3O6S MolecularWeight: 461.53128

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1COC2=CC=CC=C2O1)C3=C(C=C(C=C3)S(=O)(=O)N4CCCCCC4)[N+](=O)[O-]

Isomeric SMILES

CN(CC1COC2=CC=CC=C2O1)C3=C(C=C(C=C3)S(=O)(=O)N4CCCCCC4)[N+](=O)[O-]

InChI

InChI=1S/C22H27N3O6S/c1-23(15-17-16-30-21-8-4-5-9-22(21)31-17)19-11-10-18(14-20(19)25(26)27)32(28,29)24-12-6-2-3-7-13-24/h4-5,8-11,14,17H,2-3,6-7,12-13,15-16H2,1H3