8-[3-[(4-cyanophenyl)amino]propyl]-N-(4-methylphenyl)sulfonyl-3,8-diazabicyclo[3.2.1]octane-3-carboxamide

Systemtic Name: 8-[3-[(4-cyanophenyl)amino]propyl]-N-(4-methylphenyl)sulfonyl-3,8-diazabicyclo[3.2.1]octane-3-carboxamide Openeye Name: 8-[3-(4-cyanoanilino)propyl]-N-(p-tolylsulfonyl)-3,8-diazabicyclo[3.2.1]octane-3-carboxamide CAS Name: 8-[3-(4-cyanoanilino)propyl]-N-(4-methylphenyl)sulfonyl-3,8-diazabicyclo[3.2.1]octane-3-carboxamide IUPAC Name: 8-[3-(4-cyanoanilino)propyl]-N-(4-methylphenyl)sulfonyl-3,8-diazabicyclo[3.2.1]octane-3-carboxamide Traditional Name: 8-[3-(4-cyanoanilino)propyl]-N-tosyl-3,8-diazabicyclo[3.2.1]octane-3-carboxamide Formula: C24H29N5O3S MolecularWeight: 467.58376

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(=O)N2CC3CCC(C2)N3CCCNC4=CC=C(C=C4)C#N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(=O)N2CC3CCC(C2)N3CCCNC4=CC=C(C=C4)C#N

InChI

InChI=1S/C24H29N5O3S/c1-18-3-11-23(12-4-18)33(31,32)27-24(30)28-16-21-9-10-22(17-28)29(21)14-2-13-26-20-7-5-19(15-25)6-8-20/h3-8,11-12,21-22,26H,2,9-10,13-14,16-17H2,1H3,(H,27,30)