N-[2-(2,6-dimethylphenoxy)ethyl]-1-methyl-4-piperidin-1-ylsulfonyl-pyrrole-2-carboxamide

Systemtic Name: N-[2-(2,6-dimethylphenoxy)ethyl]-1-methyl-4-piperidin-1-ylsulfonyl-pyrrole-2-carboxamide Openeye Name: N-[2-(2,6-dimethylphenoxy)ethyl]-1-methyl-4-(1-piperidylsulfonyl)pyrrole-2-carboxamide CAS Name: N-[2-(2,6-dimethylphenoxy)ethyl]-1-methyl-4-(1-piperidinylsulfonyl)-2-pyrrolecarboxamide IUPAC Name: N-[2-(2,6-dimethylphenoxy)ethyl]-1-methyl-4-piperidin-1-ylsulfonylpyrrole-2-carboxamide Traditional Name: N-[2-(2,6-dimethylphenoxy)ethyl]-1-methyl-4-piperidinosulfonyl-pyrrole-2-carboxamide Formula: C21H29N3O4S MolecularWeight: 419.53766

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)OCCNC(=O)C2=CC(=CN2C)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CC1=C(C(=CC=C1)C)OCCNC(=O)C2=CC(=CN2C)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C21H29N3O4S/c1-16-8-7-9-17(2)20(16)28-13-10-22-21(25)19-14-18(15-23(19)3)29(26,27)24-11-5-4-6-12-24/h7-9,14-15H,4-6,10-13H2,1-3H3,(H,22,25)