2-[[4-(azepan-1-ylsulfonyl)-2-nitro-phenyl]-methyl-amino]-N-(2-methoxyethyl)ethanamide

Systemtic Name: 2-[[4-(azepan-1-ylsulfonyl)-2-nitro-phenyl]-methyl-amino]-N-(2-methoxyethyl)ethanamide Openeye Name: 2-[4-(azepan-1-ylsulfonyl)-N-methyl-2-nitro-anilino]-N-(2-methoxyethyl)acetamide CAS Name: 2-[4-(1-azepanylsulfonyl)-N-methyl-2-nitroanilino]-N-(2-methoxyethyl)acetamide IUPAC Name: 2-[4-(azepan-1-ylsulfonyl)-N-methyl-2-nitroanilino]-N-(2-methoxyethyl)acetamide Traditional Name: 2-[4-(azepan-1-ylsulfonyl)-N-methyl-2-nitro-anilino]-N-(2-methoxyethyl)acetamide Formula: C18H28N4O6S MolecularWeight: 428.50312

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H28N4O6S/c1-20(14-18(23)19-9-12-28-2)16-8-7-15(13-17(16)22(24)25)29(26,27)21-10-5-3-4-6-11-21/h7-8,13H,3-6,9-12,14H2,1-2H3,(H,19,23)