N-[4-(cyanomethoxy)phenyl]-4-methyl-3-piperidin-1-ylsulfonyl-benzamide

Systemtic Name: N-[4-(cyanomethoxy)phenyl]-4-methyl-3-piperidin-1-ylsulfonyl-benzamide Openeye Name: N-[4-(cyanomethoxy)phenyl]-4-methyl-3-(1-piperidylsulfonyl)benzamide CAS Name: N-[4-(cyanomethoxy)phenyl]-4-methyl-3-(1-piperidinylsulfonyl)benzamide IUPAC Name: N-[4-(cyanomethoxy)phenyl]-4-methyl-3-piperidin-1-ylsulfonylbenzamide Traditional Name: N-[4-(cyanomethoxy)phenyl]-4-methyl-3-piperidinosulfonyl-benzamide Formula: C21H23N3O4S MolecularWeight: 413.49002

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)OCC#N)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)OCC#N)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C21H23N3O4S/c1-16-5-6-17(15-20(16)29(26,27)24-12-3-2-4-13-24)21(25)23-18-7-9-19(10-8-18)28-14-11-22/h5-10,15H,2-4,12-14H2,1H3,(H,23,25)