N-(2-methoxy-5-pentan-3-ylsulfonyl-phenyl)-3-(3-nitrophenyl)prop-2-enamide

Systemtic Name: N-(2-methoxy-5-pentan-3-ylsulfonyl-phenyl)-3-(3-nitrophenyl)prop-2-enamide Openeye Name: N-[5-(1-ethylpropylsulfonyl)-2-methoxy-phenyl]-3-(3-nitrophenyl)prop-2-enamide CAS Name: N-(2-methoxy-5-pentan-3-ylsulfonylphenyl)-3-(3-nitrophenyl)-2-propenamide IUPAC Name: N-(2-methoxy-5-pentan-3-ylsulfonylphenyl)-3-(3-nitrophenyl)prop-2-enamide Traditional Name: N-[5-(1-ethylpropylsulfonyl)-2-methoxy-phenyl]-3-(3-nitrophenyl)acrylamide Formula: C21H24N2O6S MolecularWeight: 432.49006

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N2O6S/c1-4-17(5-2)30(27,28)18-10-11-20(29-3)19(14-18)22-21(24)12-9-15-7-6-8-16(13-15)23(25)26/h6-14,17H,4-5H2,1-3H3,(H,22,24)