[2-[(2-methylcyclohexyl)amino]-2-oxidanylidene-ethyl] 4-pyrrolidin-1-ylsulfonyl-1H-pyrrole-2-carboxylate

Systemtic Name: [2-[(2-methylcyclohexyl)amino]-2-oxidanylidene-ethyl] 4-pyrrolidin-1-ylsulfonyl-1H-pyrrole-2-carboxylate Openeye Name: [2-[(2-methylcyclohexyl)amino]-2-oxo-ethyl] 4-pyrrolidin-1-ylsulfonyl-1H-pyrrole-2-carboxylate CAS Name: 4-(1-pyrrolidinylsulfonyl)-1H-pyrrole-2-carboxylic acid [2-[(2-methylcyclohexyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(2-methylcyclohexyl)amino]-2-oxoethyl] 4-pyrrolidin-1-ylsulfonyl-1H-pyrrole-2-carboxylate Traditional Name: 4-pyrrolidinosulfonyl-1H-pyrrole-2-carboxylic acid [2-keto-2-[(2-methylcyclohexyl)amino]ethyl] ester Formula: C18H27N3O5S MolecularWeight: 397.48908

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1NC(=O)COC(=O)C2=CC(=CN2)S(=O)(=O)N3CCCC3

Isomeric SMILES

CC1CCCCC1NC(=O)COC(=O)C2=CC(=CN2)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C18H27N3O5S/c1-13-6-2-3-7-15(13)20-17(22)12-26-18(23)16-10-14(11-19-16)27(24,25)21-8-4-5-9-21/h10-11,13,15,19H,2-9,12H2,1H3,(H,20,22)