3,4-dimethoxy-N-[2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethyl]-5-prop-2-enyl-benzamide

Systemtic Name: 3,4-dimethoxy-N-[2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethyl]-5-prop-2-enyl-benzamide Openeye Name: 3-allyl-4,5-dimethoxy-N-[2-(4-methylsulfonyl-2-nitro-anilino)ethyl]benzamide CAS Name: 3,4-dimethoxy-N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]-5-prop-2-enylbenzamide IUPAC Name: 3,4-dimethoxy-N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]-5-prop-2-enylbenzamide Traditional Name: 3-allyl-N-[2-(4-mesyl-2-nitro-anilino)ethyl]-4,5-dimethoxy-benzamide Formula: C21H25N3O7S MolecularWeight: 463.5041

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)CC=C)C(=O)NCCNC2=C(C=C(C=C2)S(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=CC(=C1OC)CC=C)C(=O)NCCNC2=C(C=C(C=C2)S(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C21H25N3O7S/c1-5-6-14-11-15(12-19(30-2)20(14)31-3)21(25)23-10-9-22-17-8-7-16(32(4,28)29)13-18(17)24(26)27/h5,7-8,11-13,22H,1,6,9-10H2,2-4H3,(H,23,25)