2-[[4-(azepan-1-ylsulfonyl)-2-nitro-phenyl]-methyl-amino]ethanol

Systemtic Name: 2-[[4-(azepan-1-ylsulfonyl)-2-nitro-phenyl]-methyl-amino]ethanol Openeye Name: 2-[4-(azepan-1-ylsulfonyl)-N-methyl-2-nitro-anilino]ethanol CAS Name: 2-[4-(1-azepanylsulfonyl)-N-methyl-2-nitroanilino]ethanol IUPAC Name: 2-[4-(azepan-1-ylsulfonyl)-N-methyl-2-nitroanilino]ethanol Traditional Name: 2-[4-(azepan-1-ylsulfonyl)-N-methyl-2-nitro-anilino]ethanol Formula: C15H23N3O5S MolecularWeight: 357.42522

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CCO)C1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)[N+](=O)[O-]

Isomeric SMILES

CN(CCO)C1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)[N+](=O)[O-]

InChI

InChI=1S/C15H23N3O5S/c1-16(10-11-19)14-7-6-13(12-15(14)18(20)21)24(22,23)17-8-4-2-3-5-9-17/h6-7,12,19H,2-5,8-11H2,1H3