(E)-N-[3-(azepan-1-ylsulfonyl)phenyl]-3-(4-chloranyl-3-nitro-phenyl)prop-2-enamide

Systemtic Name: (E)-N-[3-(azepan-1-ylsulfonyl)phenyl]-3-(4-chloranyl-3-nitro-phenyl)prop-2-enamide Openeye Name: (E)-N-[3-(azepan-1-ylsulfonyl)phenyl]-3-(4-chloro-3-nitro-phenyl)prop-2-enamide CAS Name: (E)-N-[3-(1-azepanylsulfonyl)phenyl]-3-(4-chloro-3-nitrophenyl)-2-propenamide IUPAC Name: (E)-N-[3-(azepan-1-ylsulfonyl)phenyl]-3-(4-chloro-3-nitrophenyl)prop-2-enamide Traditional Name: (E)-N-[3-(azepan-1-ylsulfonyl)phenyl]-3-(4-chloro-3-nitro-phenyl)acrylamide Formula: C21H22ClN3O5S MolecularWeight: 463.93448

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)C=CC3=CC(=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)/C=C/C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C21H22ClN3O5S/c22-19-10-8-16(14-20(19)25(27)28)9-11-21(26)23-17-6-5-7-18(15-17)31(29,30)24-12-3-1-2-4-13-24/h5-11,14-15H,1-4,12-13H2,(H,23,26)/b11-9+