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

Systemtic Name: N-[4-(cyanomethyl)phenyl]-3-piperidin-1-ylsulfonyl-benzamide Openeye Name: N-[4-(cyanomethyl)phenyl]-3-(1-piperidylsulfonyl)benzamide CAS Name: N-[4-(cyanomethyl)phenyl]-3-(1-piperidinylsulfonyl)benzamide IUPAC Name: N-[4-(cyanomethyl)phenyl]-3-piperidin-1-ylsulfonylbenzamide Traditional Name: N-[4-(cyanomethyl)phenyl]-3-piperidinosulfonyl-benzamide Formula: C20H21N3O3S MolecularWeight: 383.46404

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NC3=CC=C(C=C3)CC#N

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NC3=CC=C(C=C3)CC#N

InChI

InChI=1S/C20H21N3O3S/c21-12-11-16-7-9-18(10-8-16)22-20(24)17-5-4-6-19(15-17)27(25,26)23-13-2-1-3-14-23/h4-10,15H,1-3,11,13-14H2,(H,22,24)