3-[(6-methylpyridin-2-yl)methylamino]-N-[(3S)-2-oxidanylideneazepan-3-yl]-5-(propan-2-ylsulfamoyl)benzamide

Systemtic Name: 3-[(6-methylpyridin-2-yl)methylamino]-N-[(3S)-2-oxidanylideneazepan-3-yl]-5-(propan-2-ylsulfamoyl)benzamide Openeye Name: 3-(isopropylsulfamoyl)-5-[(6-methyl-2-pyridyl)methylamino]-N-[(3S)-2-oxoazepan-3-yl]benzamide CAS Name: 3-[(6-methyl-2-pyridinyl)methylamino]-N-[(3S)-2-oxo-3-azepanyl]-5-(propan-2-ylsulfamoyl)benzamide IUPAC Name: 3-[(6-methylpyridin-2-yl)methylamino]-N-[(3S)-2-oxoazepan-3-yl]-5-(propan-2-ylsulfamoyl)benzamide Traditional Name: 3-(isopropylsulfamoyl)-N-[(3S)-2-ketoazepan-3-yl]-5-[(6-methyl-2-pyridyl)methylamino]benzamide Formula: C23H31N5O4S MolecularWeight: 473.58834

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC=C1)CNC2=CC(=CC(=C2)C(=O)NC3CCCCNC3=O)S(=O)(=O)NC(C)C

Isomeric SMILES

CC1=NC(=CC=C1)CNC2=CC(=CC(=C2)C(=O)N[C@H]3CCCCNC3=O)S(=O)(=O)NC(C)C

InChI

InChI=1S/C23H31N5O4S/c1-15(2)28-33(31,32)20-12-17(22(29)27-21-9-4-5-10-24-23(21)30)11-19(13-20)25-14-18-8-6-7-16(3)26-18/h6-8,11-13,15,21,25,28H,4-5,9-10,14H2,1-3H3,(H,24,30)(H,27,29)/t21-/m0/s1