2-[[4-(azepan-1-ylsulfonyl)-2-nitro-phenyl]amino]-N-(3-chloranyl-4-methoxy-phenyl)-4-methyl-pentanamide

Systemtic Name: 2-[[4-(azepan-1-ylsulfonyl)-2-nitro-phenyl]amino]-N-(3-chloranyl-4-methoxy-phenyl)-4-methyl-pentanamide Openeye Name: 2-[4-(azepan-1-ylsulfonyl)-2-nitro-anilino]-N-(3-chloro-4-methoxy-phenyl)-4-methyl-pentanamide CAS Name: 2-[4-(1-azepanylsulfonyl)-2-nitroanilino]-N-(3-chloro-4-methoxyphenyl)-4-methylpentanamide IUPAC Name: 2-[4-(azepan-1-ylsulfonyl)-2-nitroanilino]-N-(3-chloro-4-methoxyphenyl)-4-methylpentanamide Traditional Name: 2-[4-(azepan-1-ylsulfonyl)-2-nitro-anilino]-N-(3-chloro-4-methoxy-phenyl)-4-methyl-valeramide Formula: C25H33ClN4O6S MolecularWeight: 553.07072

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC1=CC(=C(C=C1)OC)Cl)NC2=C(C=C(C=C2)S(=O)(=O)N3CCCCCC3)[N+](=O)[O-]

Isomeric SMILES

CC(C)CC(C(=O)NC1=CC(=C(C=C1)OC)Cl)NC2=C(C=C(C=C2)S(=O)(=O)N3CCCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C25H33ClN4O6S/c1-17(2)14-22(25(31)27-18-8-11-24(36-3)20(26)15-18)28-21-10-9-19(16-23(21)30(32)33)37(34,35)29-12-6-4-5-7-13-29/h8-11,15-17,22,28H,4-7,12-14H2,1-3H3,(H,27,31)