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

Systemtic Name: 4-(azepan-1-ylsulfonyl)-N-[(4-fluorophenyl)methyl]-2-nitro-aniline Openeye Name: 4-(azepan-1-ylsulfonyl)-N-[(4-fluorophenyl)methyl]-2-nitro-aniline CAS Name: 4-(1-azepanylsulfonyl)-N-[(4-fluorophenyl)methyl]-2-nitroaniline IUPAC Name: 4-(azepan-1-ylsulfonyl)-N-[(4-fluorophenyl)methyl]-2-nitroaniline Traditional Name: [4-(azepan-1-ylsulfonyl)-2-nitro-phenyl]-(4-fluorobenzyl)amine Formula: C19H22FN3O4S MolecularWeight: 407.459083

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)NCC3=CC=C(C=C3)F)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)NCC3=CC=C(C=C3)F)[N+](=O)[O-]

InChI

InChI=1S/C19H22FN3O4S/c20-16-7-5-15(6-8-16)14-21-18-10-9-17(13-19(18)23(24)25)28(26,27)22-11-3-1-2-4-12-22/h5-10,13,21H,1-4,11-12,14H2