1-(5-aminocarbonyl-1-methyl-pyrrol-3-yl)sulfonyl-N-[2-(3-methylphenoxy)ethyl]piperidine-4-carboxamide

Systemtic Name: 1-(5-aminocarbonyl-1-methyl-pyrrol-3-yl)sulfonyl-N-[2-(3-methylphenoxy)ethyl]piperidine-4-carboxamide Openeye Name: 1-(5-carbamoyl-1-methyl-pyrrol-3-yl)sulfonyl-N-[2-(3-methylphenoxy)ethyl]piperidine-4-carboxamide CAS Name: 1-[(5-carbamoyl-1-methyl-3-pyrrolyl)sulfonyl]-N-[2-(3-methylphenoxy)ethyl]-4-piperidinecarboxamide IUPAC Name: 1-(5-carbamoyl-1-methylpyrrol-3-yl)sulfonyl-N-[2-(3-methylphenoxy)ethyl]piperidine-4-carboxamide Traditional Name: 1-(5-carbamoyl-1-methyl-pyrrol-3-yl)sulfonyl-N-[2-(3-methylphenoxy)ethyl]isonipecotamide Formula: C21H28N4O5S MolecularWeight: 448.53582

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCCNC(=O)C2CCN(CC2)S(=O)(=O)C3=CN(C(=C3)C(=O)N)C

Isomeric SMILES

CC1=CC(=CC=C1)OCCNC(=O)C2CCN(CC2)S(=O)(=O)C3=CN(C(=C3)C(=O)N)C

InChI

InChI=1S/C21H28N4O5S/c1-15-4-3-5-17(12-15)30-11-8-23-21(27)16-6-9-25(10-7-16)31(28,29)18-13-19(20(22)26)24(2)14-18/h3-5,12-14,16H,6-11H2,1-2H3,(H2,22,26)(H,23,27)