N-[2-(azepan-1-yl)-2-(1-methylpyrrol-2-yl)ethyl]-4-(diethylsulfamoyl)benzamide

Systemtic Name: N-[2-(azepan-1-yl)-2-(1-methylpyrrol-2-yl)ethyl]-4-(diethylsulfamoyl)benzamide Openeye Name: N-[2-(azepan-1-yl)-2-(1-methylpyrrol-2-yl)ethyl]-4-(diethylsulfamoyl)benzamide CAS Name: N-[2-(1-azepanyl)-2-(1-methyl-2-pyrrolyl)ethyl]-4-(diethylsulfamoyl)benzamide IUPAC Name: N-[2-(azepan-1-yl)-2-(1-methylpyrrol-2-yl)ethyl]-4-(diethylsulfamoyl)benzamide Traditional Name: N-[2-(azepan-1-yl)-2-(1-methylpyrrol-2-yl)ethyl]-4-(diethylsulfamoyl)benzamide Formula: C24H36N4O3S MolecularWeight: 460.63264

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)C(=O)NCC(C2=CC=CN2C)N3CCCCCC3

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)C(=O)NCC(C2=CC=CN2C)N3CCCCCC3

InChI

InChI=1S/C24H36N4O3S/c1-4-28(5-2)32(30,31)21-14-12-20(13-15-21)24(29)25-19-23(22-11-10-16-26(22)3)27-17-8-6-7-9-18-27/h10-16,23H,4-9,17-19H2,1-3H3,(H,25,29)