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

Systemtic Name: N-[2-(4,5-dimethoxy-2-nitro-phenyl)ethyl]-3-(prop-2-ynylsulfamoyl)benzamide Openeye Name: N-[2-(4,5-dimethoxy-2-nitro-phenyl)ethyl]-3-(prop-2-ynylsulfamoyl)benzamide CAS Name: N-[2-(4,5-dimethoxy-2-nitrophenyl)ethyl]-3-(prop-2-ynylsulfamoyl)benzamide IUPAC Name: N-[2-(4,5-dimethoxy-2-nitrophenyl)ethyl]-3-(prop-2-ynylsulfamoyl)benzamide Traditional Name: N-[2-(4,5-dimethoxy-2-nitro-phenyl)ethyl]-3-(propargylsulfamoyl)benzamide Formula: C20H21N3O7S MolecularWeight: 447.46164

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)CCNC(=O)C2=CC(=CC=C2)S(=O)(=O)NCC#C)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C(=C1)CCNC(=O)C2=CC(=CC=C2)S(=O)(=O)NCC#C)[N+](=O)[O-])OC

InChI

InChI=1S/C20H21N3O7S/c1-4-9-22-31(27,28)16-7-5-6-15(11-16)20(24)21-10-8-14-12-18(29-2)19(30-3)13-17(14)23(25)26/h1,5-7,11-13,22H,8-10H2,2-3H3,(H,21,24)