N-[[2-(dimethylamino)pyridin-4-yl]methyl]-2-methyl-5-piperidin-1-ylsulfonyl-benzamide

Systemtic Name: N-[[2-(dimethylamino)pyridin-4-yl]methyl]-2-methyl-5-piperidin-1-ylsulfonyl-benzamide Openeye Name: N-[[2-(dimethylamino)-4-pyridyl]methyl]-2-methyl-5-(1-piperidylsulfonyl)benzamide CAS Name: N-[[2-(dimethylamino)-4-pyridinyl]methyl]-2-methyl-5-(1-piperidinylsulfonyl)benzamide IUPAC Name: N-[[2-(dimethylamino)pyridin-4-yl]methyl]-2-methyl-5-piperidin-1-ylsulfonylbenzamide Traditional Name: N-[[2-(dimethylamino)-4-pyridyl]methyl]-2-methyl-5-piperidinosulfonyl-benzamide Formula: C21H28N4O3S MolecularWeight: 416.53702

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)C(=O)NCC3=CC(=NC=C3)N(C)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)C(=O)NCC3=CC(=NC=C3)N(C)C

InChI

InChI=1S/C21H28N4O3S/c1-16-7-8-18(29(27,28)25-11-5-4-6-12-25)14-19(16)21(26)23-15-17-9-10-22-20(13-17)24(2)3/h7-10,13-14H,4-6,11-12,15H2,1-3H3,(H,23,26)