3-(azepan-1-ylsulfonyl)-4-methyl-N-(4-nitrophenyl)benzamide

Systemtic Name: 3-(azepan-1-ylsulfonyl)-4-methyl-N-(4-nitrophenyl)benzamide Openeye Name: 3-(azepan-1-ylsulfonyl)-4-methyl-N-(4-nitrophenyl)benzamide CAS Name: 3-(1-azepanylsulfonyl)-4-methyl-N-(4-nitrophenyl)benzamide IUPAC Name: 3-(azepan-1-ylsulfonyl)-4-methyl-N-(4-nitrophenyl)benzamide Traditional Name: 3-(azepan-1-ylsulfonyl)-4-methyl-N-(4-nitrophenyl)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=C(C=C2)[N+](=O)[O-])S(=O)(=O)N3CCCCCC3

Isomeric SMILES

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

InChI

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