2-[[4-(azepan-1-ylsulfonyl)-2-nitro-phenyl]amino]-N-propan-2-yl-ethanamide

Systemtic Name: 2-[[4-(azepan-1-ylsulfonyl)-2-nitro-phenyl]amino]-N-propan-2-yl-ethanamide Openeye Name: 2-[4-(azepan-1-ylsulfonyl)-2-nitro-anilino]-N-isopropyl-acetamide CAS Name: 2-[4-(1-azepanylsulfonyl)-2-nitroanilino]-N-propan-2-ylacetamide IUPAC Name: 2-[4-(azepan-1-ylsulfonyl)-2-nitroanilino]-N-propan-2-ylacetamide Traditional Name: 2-[4-(azepan-1-ylsulfonyl)-2-nitro-anilino]-N-isopropyl-acetamide Formula: C17H26N4O5S MolecularWeight: 398.47714

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)CNC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)[N+](=O)[O-]

Isomeric SMILES

CC(C)NC(=O)CNC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)[N+](=O)[O-]

InChI

InChI=1S/C17H26N4O5S/c1-13(2)19-17(22)12-18-15-8-7-14(11-16(15)21(23)24)27(25,26)20-9-5-3-4-6-10-20/h7-8,11,13,18H,3-6,9-10,12H2,1-2H3,(H,19,22)