1-[2-[bis[3-(4-chlorophenyl)prop-2-ynyl]amino]ethyl]isoquinoline-5-sulfonamide

Systemtic Name: 1-[2-[bis[3-(4-chlorophenyl)prop-2-ynyl]amino]ethyl]isoquinoline-5-sulfonamide Openeye Name: 1-[2-[bis[3-(4-chlorophenyl)prop-2-ynyl]amino]ethyl]isoquinoline-5-sulfonamide CAS Name: 1-[2-[bis[3-(4-chlorophenyl)prop-2-ynyl]amino]ethyl]-5-isoquinolinesulfonamide IUPAC Name: 1-[2-[bis[3-(4-chlorophenyl)prop-2-ynyl]amino]ethyl]isoquinoline-5-sulfonamide Traditional Name: 1-[2-[bis[3-(4-chlorophenyl)prop-2-ynyl]amino]ethyl]isoquinoline-5-sulfonamide Formula: C29H23Cl2N3O2S MolecularWeight: 548.48282

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=CN=C2CCN(CC#CC3=CC=C(C=C3)Cl)CC#CC4=CC=C(C=C4)Cl)C(=C1)S(=O)(=O)N

Isomeric SMILES

C1=CC2=C(C=CN=C2CCN(CC#CC3=CC=C(C=C3)Cl)CC#CC4=CC=C(C=C4)Cl)C(=C1)S(=O)(=O)N

InChI

InChI=1S/C29H23Cl2N3O2S/c30-24-12-8-22(9-13-24)4-2-19-34(20-3-5-23-10-14-25(31)15-11-23)21-17-28-26-6-1-7-29(37(32,35)36)27(26)16-18-33-28/h1,6-16,18H,17,19-21H2,(H2,32,35,36)