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

Systemtic Name: N-(4-methyl-3-piperidin-1-ylsulfonyl-phenyl)-5-oxidanylidene-1-phenethyl-pyrrolidine-3-carboxamide Openeye Name: N-[4-methyl-3-(1-piperidylsulfonyl)phenyl]-5-oxo-1-phenethyl-pyrrolidine-3-carboxamide CAS Name: N-[4-methyl-3-(1-piperidinylsulfonyl)phenyl]-5-oxo-1-phenethyl-3-pyrrolidinecarboxamide IUPAC Name: N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-5-oxo-1-phenethylpyrrolidine-3-carboxamide Traditional Name: 5-keto-N-(4-methyl-3-piperidinosulfonyl-phenyl)-1-phenethyl-pyrrolidine-3-carboxamide Formula: C25H31N3O4S MolecularWeight: 469.59634

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2CC(=O)N(C2)CCC3=CC=CC=C3)S(=O)(=O)N4CCCCC4

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2CC(=O)N(C2)CCC3=CC=CC=C3)S(=O)(=O)N4CCCCC4

InChI

InChI=1S/C25H31N3O4S/c1-19-10-11-22(17-23(19)33(31,32)28-13-6-3-7-14-28)26-25(30)21-16-24(29)27(18-21)15-12-20-8-4-2-5-9-20/h2,4-5,8-11,17,21H,3,6-7,12-16,18H2,1H3,(H,26,30)