[4-(2-dimethylaminoethyloxy)-2-methyl-5-propan-2-yl-phenyl] 1-(3-methyl-3-nitrososulfanyl-butanoyl)piperidine-4-carboxylate

Systemtic Name: [4-(2-dimethylaminoethyloxy)-2-methyl-5-propan-2-yl-phenyl] 1-(3-methyl-3-nitrososulfanyl-butanoyl)piperidine-4-carboxylate Openeye Name: [4-(2-dimethylaminoethyloxy)-5-isopropyl-2-methyl-phenyl] 1-(3-methyl-3-nitrososulfanyl-butanoyl)piperidine-4-carboxylate CAS Name: 1-[3-methyl-3-(nitrosothio)-1-oxobutyl]-4-piperidinecarboxylic acid [4-(2-dimethylaminoethyloxy)-2-methyl-5-propan-2-ylphenyl] ester IUPAC Name: [4-(2-dimethylaminoethyloxy)-2-methyl-5-propan-2-ylphenyl] 1-(3-methyl-3-nitrososulfanylbutanoyl)piperidine-4-carboxylate Traditional Name: 1-[3-methyl-3-(nitrosothio)butanoyl]isonipecotic acid [4-(2-dimethylaminoethyloxy)-5-isopropyl-2-methyl-phenyl] ester Formula: C25H39N3O5S MolecularWeight: 493.65926

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1OC(=O)C2CCN(CC2)C(=O)CC(C)(C)SN=O)C(C)C)OCCN(C)C

Isomeric SMILES

CC1=CC(=C(C=C1OC(=O)C2CCN(CC2)C(=O)CC(C)(C)SN=O)C(C)C)OCCN(C)C

InChI

InChI=1S/C25H39N3O5S/c1-17(2)20-15-21(18(3)14-22(20)32-13-12-27(6)7)33-24(30)19-8-10-28(11-9-19)23(29)16-25(4,5)34-26-31/h14-15,17,19H,8-13,16H2,1-7H3