4-[(E)-3-(4-chloranyl-3-nitro-phenyl)prop-2-enoyl]-N-propyl-benzenesulfonamide

Systemtic Name: 4-[(E)-3-(4-chloranyl-3-nitro-phenyl)prop-2-enoyl]-N-propyl-benzenesulfonamide Openeye Name: 4-[(E)-3-(4-chloro-3-nitro-phenyl)prop-2-enoyl]-N-propyl-benzenesulfonamide CAS Name: 4-[(E)-3-(4-chloro-3-nitrophenyl)-1-oxoprop-2-enyl]-N-propylbenzenesulfonamide IUPAC Name: 4-[(E)-3-(4-chloro-3-nitrophenyl)prop-2-enoyl]-N-propylbenzenesulfonamide Traditional Name: 4-[(E)-3-(4-chloro-3-nitro-phenyl)acryloyl]-N-propyl-benzenesulfonamide Formula: C18H17ClN2O5S MolecularWeight: 408.85598

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Descriptors Computed from Structure

Canonical SMILES:

CCCNS(=O)(=O)C1=CC=C(C=C1)C(=O)C=CC2=CC(=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

CCCNS(=O)(=O)C1=CC=C(C=C1)C(=O)/C=C/C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C18H17ClN2O5S/c1-2-11-20-27(25,26)15-7-5-14(6-8-15)18(22)10-4-13-3-9-16(19)17(12-13)21(23)24/h3-10,12,20H,2,11H2,1H3/b10-4+