sodium [4-[4-[3,4-bis(chloranyl)phenoxy]piperidin-1-yl]piperidin-1-yl]carbonyl-(4-methylphenyl)sulfonyl-azanide

Systemtic Name: sodium [4-[4-[3,4-bis(chloranyl)phenoxy]piperidin-1-yl]piperidin-1-yl]carbonyl-(4-methylphenyl)sulfonyl-azanide Openeye Name: sodium [4-[4-(3,4-dichlorophenoxy)-1-piperidyl]piperidine-1-carbonyl]-(p-tolylsulfonyl)azanide CAS Name: sodium [[4-[4-(3,4-dichlorophenoxy)-1-piperidinyl]-1-piperidinyl]-oxomethyl]-(4-methylphenyl)sulfonylazanide IUPAC Name: sodium [4-[4-(3,4-dichlorophenoxy)piperidin-1-yl]piperidine-1-carbonyl]-(4-methylphenyl)sulfonylazanide Traditional Name: sodium [4-[4-(3,4-dichlorophenoxy)piperidino]piperidine-1-carbonyl]-tosyl-azanide Formula: C24H28Cl2N3NaO4S MolecularWeight: 548.45759

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[N-]C(=O)N2CCC(CC2)N3CCC(CC3)OC4=CC(=C(C=C4)Cl)Cl.[Na+]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[N-]C(=O)N2CCC(CC2)N3CCC(CC3)OC4=CC(=C(C=C4)Cl)Cl.[Na+]

InChI

InChI=1S/C24H29Cl2N3O4S.Na/c1-17-2-5-21(6-3-17)34(31,32)27-24(30)29-12-8-18(9-13-29)28-14-10-19(11-15-28)33-20-4-7-22(25)23(26)16-20;/h2-7,16,18-19H,8-15H2,1H3,(H,27,30);/q;+1/p-1