N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-(2,6-dimethyl-3-nitro-phenoxy)ethanamide

Systemtic Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-(2,6-dimethyl-3-nitro-phenoxy)ethanamide Openeye Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-(2,6-dimethyl-3-nitro-phenoxy)acetamide CAS Name: N-[5-(1-azepanylsulfonyl)-2-methoxyphenyl]-2-(2,6-dimethyl-3-nitrophenoxy)acetamide IUPAC Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-2-(2,6-dimethyl-3-nitrophenoxy)acetamide Traditional Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-(2,6-dimethyl-3-nitro-phenoxy)acetamide Formula: C23H29N3O7S MolecularWeight: 491.55726

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29N3O7S/c1-16-8-10-20(26(28)29)17(2)23(16)33-15-22(27)24-19-14-18(9-11-21(19)32-3)34(30,31)25-12-6-4-5-7-13-25/h8-11,14H,4-7,12-13,15H2,1-3H3,(H,24,27)