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

Systemtic Name: 2-[[4-(azepan-1-ylsulfonyl)-2-nitro-phenyl]amino]-N-cyclopropyl-ethanamide Openeye Name: 2-[4-(azepan-1-ylsulfonyl)-2-nitro-anilino]-N-cyclopropyl-acetamide CAS Name: 2-[4-(1-azepanylsulfonyl)-2-nitroanilino]-N-cyclopropylacetamide IUPAC Name: 2-[4-(azepan-1-ylsulfonyl)-2-nitroanilino]-N-cyclopropylacetamide Traditional Name: 2-[4-(azepan-1-ylsulfonyl)-2-nitro-anilino]-N-cyclopropyl-acetamide Formula: C17H24N4O5S MolecularWeight: 396.46126

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)NCC(=O)NC3CC3)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)NCC(=O)NC3CC3)[N+](=O)[O-]

InChI

InChI=1S/C17H24N4O5S/c22-17(19-13-5-6-13)12-18-15-8-7-14(11-16(15)21(23)24)27(25,26)20-9-3-1-2-4-10-20/h7-8,11,13,18H,1-6,9-10,12H2,(H,19,22)