N-[(4-tert-butylphenyl)methyl]-2-[4-(methylsulfonylamino)-3-piperazin-1-yl-phenyl]propanamide

Systemtic Name: N-[(4-tert-butylphenyl)methyl]-2-[4-(methylsulfonylamino)-3-piperazin-1-yl-phenyl]propanamide Openeye Name: N-[(4-tert-butylphenyl)methyl]-2-[4-(methanesulfonamido)-3-piperazin-1-yl-phenyl]propanamide CAS Name: N-[(4-tert-butylphenyl)methyl]-2-[4-(methanesulfonamido)-3-(1-piperazinyl)phenyl]propanamide IUPAC Name: N-[(4-tert-butylphenyl)methyl]-2-[4-(methanesulfonamido)-3-piperazin-1-ylphenyl]propanamide Traditional Name: N-(4-tert-butylbenzyl)-2-[4-(methanesulfonamido)-3-piperazino-phenyl]propionamide Formula: C25H36N4O3S MolecularWeight: 472.64334

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=C(C=C1)NS(=O)(=O)C)N2CCNCC2)C(=O)NCC3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

CC(C1=CC(=C(C=C1)NS(=O)(=O)C)N2CCNCC2)C(=O)NCC3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C25H36N4O3S/c1-18(24(30)27-17-19-6-9-21(10-7-19)25(2,3)4)20-8-11-22(28-33(5,31)32)23(16-20)29-14-12-26-13-15-29/h6-11,16,18,26,28H,12-15,17H2,1-5H3,(H,27,30)