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

Systemtic Name: 2-[[4-(azepan-1-ylsulfonyl)-2-nitro-phenyl]-methyl-amino]-N-propyl-ethanamide Openeye Name: 2-[4-(azepan-1-ylsulfonyl)-N-methyl-2-nitro-anilino]-N-propyl-acetamide CAS Name: 2-[4-(1-azepanylsulfonyl)-N-methyl-2-nitroanilino]-N-propylacetamide IUPAC Name: 2-[4-(azepan-1-ylsulfonyl)-N-methyl-2-nitroanilino]-N-propylacetamide Traditional Name: 2-[4-(azepan-1-ylsulfonyl)-N-methyl-2-nitro-anilino]-N-propyl-acetamide Formula: C18H28N4O5S MolecularWeight: 412.50372

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H28N4O5S/c1-3-10-19-18(23)14-20(2)16-9-8-15(13-17(16)22(24)25)28(26,27)21-11-6-4-5-7-12-21/h8-9,13H,3-7,10-12,14H2,1-2H3,(H,19,23)