5-[[[1-[bis(4-chlorophenyl)methyl]azetidin-3-yl]-sulfinato-amino]methyl]isoquinoline

Systemtic Name: 5-[[[1-[bis(4-chlorophenyl)methyl]azetidin-3-yl]-sulfinato-amino]methyl]isoquinoline Openeye Name: 5-[[[1-[bis(4-chlorophenyl)methyl]azetidin-3-yl]-sulfinato-amino]methyl]isoquinoline CAS Name: 5-[[[1-[bis(4-chlorophenyl)methyl]-3-azetidinyl]-sulfinatoamino]methyl]isoquinoline IUPAC Name: 5-[[[1-[bis(4-chlorophenyl)methyl]azetidin-3-yl]-sulfinatoamino]methyl]isoquinoline Traditional Name: 5-[[[1-[bis(4-chlorophenyl)methyl]azetidin-3-yl]-sulfinato-amino]methyl]isoquinoline Formula: C26H22Cl2N3O2S- MolecularWeight: 511.44278

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(CN1C(C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)Cl)N(CC4=CC=CC5=C4C=CN=C5)S(=O)[O-]

Isomeric SMILES

C1C(CN1C(C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)Cl)N(CC4=CC=CC5=C4C=CN=C5)S(=O)[O-]

InChI

InChI=1S/C26H23Cl2N3O2S/c27-22-8-4-18(5-9-22)26(19-6-10-23(28)11-7-19)30-16-24(17-30)31(34(32)33)15-21-3-1-2-20-14-29-13-12-25(20)21/h1-14,24,26H,15-17H2,(H,32,33)/p-1