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

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-3-(4-nitrophenyl)prop-2-enamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-3-(4-nitrophenyl)prop-2-enamide CAS Name: N-[3-(1-azepanylsulfonyl)-4-methylphenyl]-3-(4-nitrophenyl)-2-propenamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-3-(4-nitrophenyl)prop-2-enamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-3-(4-nitrophenyl)acrylamide Formula: C22H25N3O5S MolecularWeight: 443.516

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25N3O5S/c1-17-6-10-19(16-21(17)31(29,30)24-14-4-2-3-5-15-24)23-22(26)13-9-18-7-11-20(12-8-18)25(27)28/h6-13,16H,2-5,14-15H2,1H3,(H,23,26)