N-but-3-enyl-4-nitro-N-[(1S)-1-pyridin-3-ylprop-2-enyl]benzenesulfonamide

Systemtic Name: N-but-3-enyl-4-nitro-N-[(1S)-1-pyridin-3-ylprop-2-enyl]benzenesulfonamide Openeye Name: N-but-3-enyl-4-nitro-N-[(1S)-1-(3-pyridyl)allyl]benzenesulfonamide CAS Name: N-but-3-enyl-4-nitro-N-[(1S)-1-(3-pyridinyl)prop-2-enyl]benzenesulfonamide IUPAC Name: N-but-3-enyl-4-nitro-N-[(1S)-1-pyridin-3-ylprop-2-enyl]benzenesulfonamide Traditional Name: N-but-3-enyl-4-nitro-N-[(1S)-1-(3-pyridyl)allyl]benzenesulfonamide Formula: C18H19N3O4S MolecularWeight: 373.42616

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Descriptors Computed from Structure

Canonical SMILES:

C=CCCN(C(C=C)C1=CN=CC=C1)S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C=CCCN([C@@H](C=C)C1=CN=CC=C1)S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C18H19N3O4S/c1-3-5-13-20(18(4-2)15-7-6-12-19-14-15)26(24,25)17-10-8-16(9-11-17)21(22)23/h3-4,6-12,14,18H,1-2,5,13H2/t18-/m0/s1