N-[2-(4,5-dimethoxy-2-nitro-phenyl)ethyl]-2-methyl-5-piperidin-1-ylsulfonyl-benzamide

Systemtic Name: N-[2-(4,5-dimethoxy-2-nitro-phenyl)ethyl]-2-methyl-5-piperidin-1-ylsulfonyl-benzamide Openeye Name: N-[2-(4,5-dimethoxy-2-nitro-phenyl)ethyl]-2-methyl-5-(1-piperidylsulfonyl)benzamide CAS Name: N-[2-(4,5-dimethoxy-2-nitrophenyl)ethyl]-2-methyl-5-(1-piperidinylsulfonyl)benzamide IUPAC Name: N-[2-(4,5-dimethoxy-2-nitrophenyl)ethyl]-2-methyl-5-piperidin-1-ylsulfonylbenzamide Traditional Name: N-[2-(4,5-dimethoxy-2-nitro-phenyl)ethyl]-2-methyl-5-piperidinosulfonyl-benzamide Formula: C23H29N3O7S MolecularWeight: 491.55726

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)C(=O)NCCC3=CC(=C(C=C3[N+](=O)[O-])OC)OC

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)C(=O)NCCC3=CC(=C(C=C3[N+](=O)[O-])OC)OC

InChI

InChI=1S/C23H29N3O7S/c1-16-7-8-18(34(30,31)25-11-5-4-6-12-25)14-19(16)23(27)24-10-9-17-13-21(32-2)22(33-3)15-20(17)26(28)29/h7-8,13-15H,4-6,9-12H2,1-3H3,(H,24,27)