N-[2-[(3,4-dichlorophenyl)methyl-piperidin-4-yl-amino]ethyl]-3-methylsulfonyl-benzamide

Systemtic Name: N-[2-[(3,4-dichlorophenyl)methyl-piperidin-4-yl-amino]ethyl]-3-methylsulfonyl-benzamide Openeye Name: N-[2-[(3,4-dichlorophenyl)methyl-(4-piperidyl)amino]ethyl]-3-methylsulfonyl-benzamide CAS Name: N-[2-[(3,4-dichlorophenyl)methyl-(4-piperidinyl)amino]ethyl]-3-methylsulfonylbenzamide IUPAC Name: N-[2-[(3,4-dichlorophenyl)methyl-piperidin-4-ylamino]ethyl]-3-methylsulfonylbenzamide Traditional Name: N-[2-[(3,4-dichlorobenzyl)-(4-piperidyl)amino]ethyl]-3-mesyl-benzamide Formula: C22H27Cl2N3O3S MolecularWeight: 484.43908

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC(=C1)C(=O)NCCN(CC2=CC(=C(C=C2)Cl)Cl)C3CCNCC3

Isomeric SMILES

CS(=O)(=O)C1=CC=CC(=C1)C(=O)NCCN(CC2=CC(=C(C=C2)Cl)Cl)C3CCNCC3

InChI

InChI=1S/C22H27Cl2N3O3S/c1-31(29,30)19-4-2-3-17(14-19)22(28)26-11-12-27(18-7-9-25-10-8-18)15-16-5-6-20(23)21(24)13-16/h2-6,13-14,18,25H,7-12,15H2,1H3,(H,26,28)