N-[4-(azepan-1-ylsulfonyl)phenyl]-2-[(2-chloranyl-5-nitro-phenyl)methyl-methyl-amino]ethanamide

Systemtic Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-[(2-chloranyl-5-nitro-phenyl)methyl-methyl-amino]ethanamide Openeye Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-[(2-chloro-5-nitro-phenyl)methyl-methyl-amino]acetamide CAS Name: N-[4-(1-azepanylsulfonyl)phenyl]-2-[(2-chloro-5-nitrophenyl)methyl-methylamino]acetamide IUPAC Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-[(2-chloro-5-nitrophenyl)methyl-methylamino]acetamide Traditional Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-[(2-chloro-5-nitro-benzyl)-methyl-amino]acetamide Formula: C22H27ClN4O5S MolecularWeight: 494.99158

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=C(C=CC(=C1)[N+](=O)[O-])Cl)CC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CN(CC1=C(C=CC(=C1)[N+](=O)[O-])Cl)CC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C22H27ClN4O5S/c1-25(15-17-14-19(27(29)30)8-11-21(17)23)16-22(28)24-18-6-9-20(10-7-18)33(31,32)26-12-4-2-3-5-13-26/h6-11,14H,2-5,12-13,15-16H2,1H3,(H,24,28)