1-(4-ethylphenyl)-5-oxidanylidene-N-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]pyrrolidine-3-carboxamide

Systemtic Name: 1-(4-ethylphenyl)-5-oxidanylidene-N-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]pyrrolidine-3-carboxamide Openeye Name: 1-(4-ethylphenyl)-5-oxo-N-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]pyrrolidine-3-carboxamide CAS Name: 1-(4-ethylphenyl)-5-oxo-N-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]-3-pyrrolidinecarboxamide IUPAC Name: 1-(4-ethylphenyl)-5-oxo-N-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]pyrrolidine-3-carboxamide Traditional Name: 1-(4-ethylphenyl)-5-keto-N-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]pyrrolidine-3-carboxamide Formula: C25H30N4O4S MolecularWeight: 482.5951

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)N2CC(CC2=O)C(=O)NC3=CC(=CC=C3)S(=O)(=O)NC4=NCCCCC4

Isomeric SMILES

CCC1=CC=C(C=C1)N2CC(CC2=O)C(=O)NC3=CC(=CC=C3)S(=O)(=O)NC4=NCCCCC4

InChI

InChI=1S/C25H30N4O4S/c1-2-18-10-12-21(13-11-18)29-17-19(15-24(29)30)25(31)27-20-7-6-8-22(16-20)34(32,33)28-23-9-4-3-5-14-26-23/h6-8,10-13,16,19H,2-5,9,14-15,17H2,1H3,(H,26,28)(H,27,31)