N-(4-methyl-3-piperidin-1-ylsulfonyl-phenyl)-1-(2-methylpropyl)-5-oxidanylidene-pyrrolidine-3-carboxamide

Systemtic Name: N-(4-methyl-3-piperidin-1-ylsulfonyl-phenyl)-1-(2-methylpropyl)-5-oxidanylidene-pyrrolidine-3-carboxamide Openeye Name: 1-isobutyl-N-[4-methyl-3-(1-piperidylsulfonyl)phenyl]-5-oxo-pyrrolidine-3-carboxamide CAS Name: N-[4-methyl-3-(1-piperidinylsulfonyl)phenyl]-1-(2-methylpropyl)-5-oxo-3-pyrrolidinecarboxamide IUPAC Name: N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide Traditional Name: 1-isobutyl-5-keto-N-(4-methyl-3-piperidinosulfonyl-phenyl)pyrrolidine-3-carboxamide Formula: C21H31N3O4S MolecularWeight: 421.55354

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2CC(=O)N(C2)CC(C)C)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2CC(=O)N(C2)CC(C)C)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C21H31N3O4S/c1-15(2)13-23-14-17(11-20(23)25)21(26)22-18-8-7-16(3)19(12-18)29(27,28)24-9-5-4-6-10-24/h7-8,12,15,17H,4-6,9-11,13-14H2,1-3H3,(H,22,26)