4-methyl-N,N-bis[2-[(4-methylphenyl)sulfonyl-[(4-prop-2-ynoylphenyl)methyl]amino]ethyl]benzenesulfonamide

Systemtic Name: 4-methyl-N,N-bis[2-[(4-methylphenyl)sulfonyl-[(4-prop-2-ynoylphenyl)methyl]amino]ethyl]benzenesulfonamide Openeye Name: 4-methyl-N,N-bis[2-[(4-prop-2-ynoylphenyl)methyl-(p-tolylsulfonyl)amino]ethyl]benzenesulfonamide CAS Name: 4-methyl-N,N-bis[2-[(4-methylphenyl)sulfonyl-[[4-(1-oxoprop-2-ynyl)phenyl]methyl]amino]ethyl]benzenesulfonamide IUPAC Name: 4-methyl-N,N-bis[2-[(4-methylphenyl)sulfonyl-[(4-prop-2-ynoylphenyl)methyl]amino]ethyl]benzenesulfonamide Traditional Name: 4-methyl-N,N-bis[2-[(4-propioloylbenzyl)-tosyl-amino]ethyl]benzenesulfonamide Formula: C45H43N3O8S3 MolecularWeight: 850.03322

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(CCN(CC2=CC=C(C=C2)C(=O)C#C)S(=O)(=O)C3=CC=C(C=C3)C)CCN(CC4=CC=C(C=C4)C(=O)C#C)S(=O)(=O)C5=CC=C(C=C5)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(CCN(CC2=CC=C(C=C2)C(=O)C#C)S(=O)(=O)C3=CC=C(C=C3)C)CCN(CC4=CC=C(C=C4)C(=O)C#C)S(=O)(=O)C5=CC=C(C=C5)C

InChI

InChI=1S/C45H43N3O8S3/c1-6-44(49)39-18-14-37(15-19-39)32-47(58(53,54)42-24-10-35(4)11-25-42)30-28-46(57(51,52)41-22-8-34(3)9-23-41)29-31-48(59(55,56)43-26-12-36(5)13-27-43)33-38-16-20-40(21-17-38)45(50)7-2/h1-2,8-27H,28-33H2,3-5H3