N-[[2-(dimethylamino)pyridin-3-yl]methyl]-4-(2-methylpiperidin-1-yl)sulfonyl-benzamide

Systemtic Name: N-[[2-(dimethylamino)pyridin-3-yl]methyl]-4-(2-methylpiperidin-1-yl)sulfonyl-benzamide Openeye Name: N-[[2-(dimethylamino)-3-pyridyl]methyl]-4-[(2-methyl-1-piperidyl)sulfonyl]benzamide CAS Name: N-[[2-(dimethylamino)-3-pyridinyl]methyl]-4-[(2-methyl-1-piperidinyl)sulfonyl]benzamide IUPAC Name: N-[[2-(dimethylamino)pyridin-3-yl]methyl]-4-(2-methylpiperidin-1-yl)sulfonylbenzamide Traditional Name: N-[[2-(dimethylamino)-3-pyridyl]methyl]-4-(2-methylpiperidino)sulfonyl-benzamide Formula: C21H28N4O3S MolecularWeight: 416.53702

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1S(=O)(=O)C2=CC=C(C=C2)C(=O)NCC3=C(N=CC=C3)N(C)C

Isomeric SMILES

CC1CCCCN1S(=O)(=O)C2=CC=C(C=C2)C(=O)NCC3=C(N=CC=C3)N(C)C

InChI

InChI=1S/C21H28N4O3S/c1-16-7-4-5-14-25(16)29(27,28)19-11-9-17(10-12-19)21(26)23-15-18-8-6-13-22-20(18)24(2)3/h6,8-13,16H,4-5,7,14-15H2,1-3H3,(H,23,26)