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

Systemtic Name: 2-[[4-(azepan-1-ylsulfonyl)-2-nitro-phenyl]-methyl-amino]-N-cyclopropyl-ethanamide Openeye Name: 2-[4-(azepan-1-ylsulfonyl)-N-methyl-2-nitro-anilino]-N-cyclopropyl-acetamide CAS Name: 2-[4-(1-azepanylsulfonyl)-N-methyl-2-nitroanilino]-N-cyclopropylacetamide IUPAC Name: 2-[4-(azepan-1-ylsulfonyl)-N-methyl-2-nitroanilino]-N-cyclopropylacetamide Traditional Name: 2-[4-(azepan-1-ylsulfonyl)-N-methyl-2-nitro-anilino]-N-cyclopropyl-acetamide Formula: C18H26N4O5S MolecularWeight: 410.48784

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)NC1CC1)C2=C(C=C(C=C2)S(=O)(=O)N3CCCCCC3)[N+](=O)[O-]

Isomeric SMILES

CN(CC(=O)NC1CC1)C2=C(C=C(C=C2)S(=O)(=O)N3CCCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C18H26N4O5S/c1-20(13-18(23)19-14-6-7-14)16-9-8-15(12-17(16)22(24)25)28(26,27)21-10-4-2-3-5-11-21/h8-9,12,14H,2-7,10-11,13H2,1H3,(H,19,23)