N-(3-acetamidophenyl)-1-[[2,6-bis(chloranyl)phenyl]methylsulfonyl]piperidine-4-carboxamide

Systemtic Name: N-(3-acetamidophenyl)-1-[[2,6-bis(chloranyl)phenyl]methylsulfonyl]piperidine-4-carboxamide Openeye Name: N-(3-acetamidophenyl)-1-[(2,6-dichlorophenyl)methylsulfonyl]piperidine-4-carboxamide CAS Name: N-(3-acetamidophenyl)-1-[(2,6-dichlorophenyl)methylsulfonyl]-4-piperidinecarboxamide IUPAC Name: N-(3-acetamidophenyl)-1-[(2,6-dichlorophenyl)methylsulfonyl]piperidine-4-carboxamide Traditional Name: N-(3-acetamidophenyl)-1-(2,6-dichlorobenzyl)sulfonyl-isonipecotamide Formula: C21H23Cl2N3O4S MolecularWeight: 484.39602

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=CC(=C1)NC(=O)C2CCN(CC2)S(=O)(=O)CC3=C(C=CC=C3Cl)Cl

Isomeric SMILES

CC(=O)NC1=CC=CC(=C1)NC(=O)C2CCN(CC2)S(=O)(=O)CC3=C(C=CC=C3Cl)Cl

InChI

InChI=1S/C21H23Cl2N3O4S/c1-14(27)24-16-4-2-5-17(12-16)25-21(28)15-8-10-26(11-9-15)31(29,30)13-18-19(22)6-3-7-20(18)23/h2-7,12,15H,8-11,13H2,1H3,(H,24,27)(H,25,28)