N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-(dimethylamino)pyridine-3-carboxamide

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-(dimethylamino)pyridine-3-carboxamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-(dimethylamino)pyridine-3-carboxamide CAS Name: N-[3-(1-azepanylsulfonyl)-4-methylphenyl]-2-(dimethylamino)-3-pyridinecarboxamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-2-(dimethylamino)pyridine-3-carboxamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-(dimethylamino)nicotinamide Formula: C21H28N4O3S MolecularWeight: 416.53702

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2=C(N=CC=C2)N(C)C)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2=C(N=CC=C2)N(C)C)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C21H28N4O3S/c1-16-10-11-17(23-21(26)18-9-8-12-22-20(18)24(2)3)15-19(16)29(27,28)25-13-6-4-5-7-14-25/h8-12,15H,4-7,13-14H2,1-3H3,(H,23,26)