N-[3-(azepan-1-ylsulfonyl)phenyl]-4-methyl-3-nitro-benzamide

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-4-methyl-3-nitro-benzamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-4-methyl-3-nitro-benzamide CAS Name: N-[3-(1-azepanylsulfonyl)phenyl]-4-methyl-3-nitrobenzamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-4-methyl-3-nitrobenzamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-4-methyl-3-nitro-benzamide Formula: C20H23N3O5S MolecularWeight: 417.47872

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23N3O5S/c1-15-9-10-16(13-19(15)23(25)26)20(24)21-17-7-6-8-18(14-17)29(27,28)22-11-4-2-3-5-12-22/h6-10,13-14H,2-5,11-12H2,1H3,(H,21,24)