N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-(2-nitrophenyl)ethanamide

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-(2-nitrophenyl)ethanamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-(2-nitrophenyl)acetamide CAS Name: N-[3-(1-azepanylsulfonyl)-4-methylphenyl]-2-(2-nitrophenyl)acetamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-2-(2-nitrophenyl)acetamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-(2-nitrophenyl)acetamide Formula: C21H25N3O5S MolecularWeight: 431.5053

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CC2=CC=CC=C2[N+](=O)[O-])S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CC2=CC=CC=C2[N+](=O)[O-])S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C21H25N3O5S/c1-16-10-11-18(15-20(16)30(28,29)23-12-6-2-3-7-13-23)22-21(25)14-17-8-4-5-9-19(17)24(26)27/h4-5,8-11,15H,2-3,6-7,12-14H2,1H3,(H,22,25)