4-methyl-N,N-bis[2-[(4-methylphenyl)sulfonyl-[(3-prop-2-ynoylphenyl)methyl]amino]ethyl]benzenesulfonamide

Systemtic Name: 4-methyl-N,N-bis[2-[(4-methylphenyl)sulfonyl-[(3-prop-2-ynoylphenyl)methyl]amino]ethyl]benzenesulfonamide Openeye Name: 4-methyl-N,N-bis[2-[(3-prop-2-ynoylphenyl)methyl-(p-tolylsulfonyl)amino]ethyl]benzenesulfonamide CAS Name: 4-methyl-N,N-bis[2-[(4-methylphenyl)sulfonyl-[[3-(1-oxoprop-2-ynyl)phenyl]methyl]amino]ethyl]benzenesulfonamide IUPAC Name: 4-methyl-N,N-bis[2-[(4-methylphenyl)sulfonyl-[(3-prop-2-ynoylphenyl)methyl]amino]ethyl]benzenesulfonamide Traditional Name: 4-methyl-N,N-bis[2-[(3-propioloylbenzyl)-tosyl-amino]ethyl]benzenesulfonamide Formula: C45H43N3O8S3 MolecularWeight: 850.03322

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

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