[2-[[4-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]amino]-2-oxidanylidene-ethyl] 1-oxidanylidene-2H-isoquinoline-3-carboxylate

Systemtic Name: [2-[[4-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]amino]-2-oxidanylidene-ethyl] 1-oxidanylidene-2H-isoquinoline-3-carboxylate Openeye Name: [2-[4-[(3,5-dimethyl-1-piperidyl)sulfonyl]anilino]-2-oxo-ethyl] 1-oxo-2H-isoquinoline-3-carboxylate CAS Name: 1-oxo-2H-isoquinoline-3-carboxylic acid [2-[4-[(3,5-dimethyl-1-piperidinyl)sulfonyl]anilino]-2-oxoethyl] ester IUPAC Name: [2-[4-(3,5-dimethylpiperidin-1-yl)sulfonylanilino]-2-oxoethyl] 1-oxo-2H-isoquinoline-3-carboxylate Traditional Name: 1-keto-2H-isoquinoline-3-carboxylic acid [2-[4-(3,5-dimethylpiperidino)sulfonylanilino]-2-keto-ethyl] ester Formula: C25H27N3O6S MolecularWeight: 497.56338

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)COC(=O)C3=CC4=CC=CC=C4C(=O)N3)C

Isomeric SMILES

CC1CC(CN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)COC(=O)C3=CC4=CC=CC=C4C(=O)N3)C

InChI

InChI=1S/C25H27N3O6S/c1-16-11-17(2)14-28(13-16)35(32,33)20-9-7-19(8-10-20)26-23(29)15-34-25(31)22-12-18-5-3-4-6-21(18)24(30)27-22/h3-10,12,16-17H,11,13-15H2,1-2H3,(H,26,29)(H,27,30)