2-[2-[(2-cyanophenyl)methylsulfonyl]ethylcarbamoyl]-2-[ethyl(phenethyl)carbamoyl]piperidine-1-carboxylate

Systemtic Name: 2-[2-[(2-cyanophenyl)methylsulfonyl]ethylcarbamoyl]-2-[ethyl(phenethyl)carbamoyl]piperidine-1-carboxylate Openeye Name: 2-[2-[(2-cyanophenyl)methylsulfonyl]ethylcarbamoyl]-2-[ethyl(phenethyl)carbamoyl]piperidine-1-carboxylate CAS Name: 2-[[2-[(2-cyanophenyl)methylsulfonyl]ethylamino]-oxomethyl]-2-[[ethyl(phenethyl)amino]-oxomethyl]-1-piperidinecarboxylate IUPAC Name: 2-[2-[(2-cyanophenyl)methylsulfonyl]ethylcarbamoyl]-2-[ethyl(phenethyl)carbamoyl]piperidine-1-carboxylate Traditional Name: 2-[2-(2-cyanobenzyl)sulfonylethylcarbamoyl]-2-[ethyl(phenethyl)carbamoyl]piperidine-1-carboxylate Formula: C28H33N4O6S- MolecularWeight: 553.64982

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CCC1=CC=CC=C1)C(=O)C2(CCCCN2C(=O)[O-])C(=O)NCCS(=O)(=O)CC3=CC=CC=C3C#N

Isomeric SMILES

CCN(CCC1=CC=CC=C1)C(=O)C2(CCCCN2C(=O)[O-])C(=O)NCCS(=O)(=O)CC3=CC=CC=C3C#N

InChI

InChI=1S/C28H34N4O6S/c1-2-31(18-14-22-10-4-3-5-11-22)26(34)28(15-8-9-17-32(28)27(35)36)25(33)30-16-19-39(37,38)21-24-13-7-6-12-23(24)20-29/h3-7,10-13H,2,8-9,14-19,21H2,1H3,(H,30,33)(H,35,36)/p-1