4-tert-butyl-N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]cyclohexane-1-carboxamide

Systemtic Name: 4-tert-butyl-N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]cyclohexane-1-carboxamide Openeye Name: 4-tert-butyl-N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]cyclohexanecarboxamide CAS Name: 4-tert-butyl-N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-1-cyclohexanecarboxamide IUPAC Name: 4-tert-butyl-N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]cyclohexane-1-carboxamide Traditional Name: 4-tert-butyl-N-[3-(1-pyrrolin-2-ylsulfamoyl)phenyl]cyclohexanecarboxamide Formula: C21H31N3O3S MolecularWeight: 405.55414

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CCC(CC1)C(=O)NC2=CC(=CC=C2)S(=O)(=O)NC3=NCCC3

Isomeric SMILES

CC(C)(C)C1CCC(CC1)C(=O)NC2=CC(=CC=C2)S(=O)(=O)NC3=NCCC3

InChI

InChI=1S/C21H31N3O3S/c1-21(2,3)16-11-9-15(10-12-16)20(25)23-17-6-4-7-18(14-17)28(26,27)24-19-8-5-13-22-19/h4,6-7,14-16H,5,8-13H2,1-3H3,(H,22,24)(H,23,25)