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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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