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

Systemtic Name: N-[4-[[4-(azepan-1-ylsulfonyl)-2-nitro-phenyl]amino]phenyl]ethanamide Openeye Name: N-[4-[4-(azepan-1-ylsulfonyl)-2-nitro-anilino]phenyl]acetamide CAS Name: N-[4-[4-(1-azepanylsulfonyl)-2-nitroanilino]phenyl]acetamide IUPAC Name: N-[4-[4-(azepan-1-ylsulfonyl)-2-nitroanilino]phenyl]acetamide Traditional Name: N-[4-[4-(azepan-1-ylsulfonyl)-2-nitro-anilino]phenyl]acetamide Formula: C20H24N4O5S MolecularWeight: 432.49336

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24N4O5S/c1-15(25)21-16-6-8-17(9-7-16)22-19-11-10-18(14-20(19)24(26)27)30(28,29)23-12-4-2-3-5-13-23/h6-11,14,22H,2-5,12-13H2,1H3,(H,21,25)