N-[2-[(3,4-dichlorophenyl)methoxy]ethyl]-1-isoquinolin-5-ylsulfonyl-piperidin-4-amine

Systemtic Name: N-[2-[(3,4-dichlorophenyl)methoxy]ethyl]-1-isoquinolin-5-ylsulfonyl-piperidin-4-amine Openeye Name: N-[2-[(3,4-dichlorophenyl)methoxy]ethyl]-1-(5-isoquinolylsulfonyl)piperidin-4-amine CAS Name: N-[2-[(3,4-dichlorophenyl)methoxy]ethyl]-1-(5-isoquinolinylsulfonyl)-4-piperidinamine IUPAC Name: N-[2-[(3,4-dichlorophenyl)methoxy]ethyl]-1-isoquinolin-5-ylsulfonylpiperidin-4-amine Traditional Name: 2-(3,4-dichlorobenzyl)oxyethyl-[1-(5-isoquinolylsulfonyl)-4-piperidyl]amine Formula: C23H25Cl2N3O3S MolecularWeight: 494.4339

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1NCCOCC2=CC(=C(C=C2)Cl)Cl)S(=O)(=O)C3=CC=CC4=C3C=CN=C4

Isomeric SMILES

C1CN(CCC1NCCOCC2=CC(=C(C=C2)Cl)Cl)S(=O)(=O)C3=CC=CC4=C3C=CN=C4

InChI

InChI=1S/C23H25Cl2N3O3S/c24-21-5-4-17(14-22(21)25)16-31-13-10-27-19-7-11-28(12-8-19)32(29,30)23-3-1-2-18-15-26-9-6-20(18)23/h1-6,9,14-15,19,27H,7-8,10-13,16H2