4-(azepan-1-ylsulfonyl)-N-[(4-fluorophenyl)methyl]-N-methyl-2-nitro-aniline

Systemtic Name: 4-(azepan-1-ylsulfonyl)-N-[(4-fluorophenyl)methyl]-N-methyl-2-nitro-aniline Openeye Name: 4-(azepan-1-ylsulfonyl)-N-[(4-fluorophenyl)methyl]-N-methyl-2-nitro-aniline CAS Name: 4-(1-azepanylsulfonyl)-N-[(4-fluorophenyl)methyl]-N-methyl-2-nitroaniline IUPAC Name: 4-(azepan-1-ylsulfonyl)-N-[(4-fluorophenyl)methyl]-N-methyl-2-nitroaniline Traditional Name: [4-(azepan-1-ylsulfonyl)-2-nitro-phenyl]-(4-fluorobenzyl)-methyl-amine Formula: C20H24FN3O4S MolecularWeight: 421.485663

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=C(C=C1)F)C2=C(C=C(C=C2)S(=O)(=O)N3CCCCCC3)[N+](=O)[O-]

Isomeric SMILES

CN(CC1=CC=C(C=C1)F)C2=C(C=C(C=C2)S(=O)(=O)N3CCCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C20H24FN3O4S/c1-22(15-16-6-8-17(21)9-7-16)19-11-10-18(14-20(19)24(25)26)29(27,28)23-12-4-2-3-5-13-23/h6-11,14H,2-5,12-13,15H2,1H3