N-(4,6-dimethylpyrimidin-2-yl)-4-(4-methanoylpiperazin-1-yl)sulfonyl-benzamide

Systemtic Name: N-(4,6-dimethylpyrimidin-2-yl)-4-(4-methanoylpiperazin-1-yl)sulfonyl-benzamide Openeye Name: N-(4,6-dimethylpyrimidin-2-yl)-4-(4-formylpiperazin-1-yl)sulfonyl-benzamide CAS Name: N-(4,6-dimethyl-2-pyrimidinyl)-4-[(4-formyl-1-piperazinyl)sulfonyl]benzamide IUPAC Name: N-(4,6-dimethylpyrimidin-2-yl)-4-(4-formylpiperazin-1-yl)sulfonylbenzamide Traditional Name: N-(4,6-dimethylpyrimidin-2-yl)-4-(4-formylpiperazino)sulfonyl-benzamide Formula: C18H21N5O4S MolecularWeight: 403.45544

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)NC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCN(CC3)C=O)C

Isomeric SMILES

CC1=CC(=NC(=N1)NC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCN(CC3)C=O)C

InChI

InChI=1S/C18H21N5O4S/c1-13-11-14(2)20-18(19-13)21-17(25)15-3-5-16(6-4-15)28(26,27)23-9-7-22(12-24)8-10-23/h3-6,11-12H,7-10H2,1-2H3,(H,19,20,21,25)