(2S)-5-[3-azanyl-4-(methylamino)phenyl]-N-cyclopentyl-N-methyl-2-(naphthalen-2-ylsulfonylamino)pent-4-ynamide

Systemtic Name: (2S)-5-[3-azanyl-4-(methylamino)phenyl]-N-cyclopentyl-N-methyl-2-(naphthalen-2-ylsulfonylamino)pent-4-ynamide Openeye Name: (2S)-5-[3-amino-4-(methylamino)phenyl]-N-cyclopentyl-N-methyl-2-(2-naphthylsulfonylamino)pent-4-ynamide CAS Name: (2S)-5-[3-amino-4-(methylamino)phenyl]-N-cyclopentyl-N-methyl-2-(2-naphthalenylsulfonylamino)-4-pentynamide IUPAC Name: (2S)-5-[3-amino-4-(methylamino)phenyl]-N-cyclopentyl-N-methyl-2-(naphthalen-2-ylsulfonylamino)pent-4-ynamide Traditional Name: (2S)-5-[3-amino-4-(methylamino)phenyl]-N-cyclopentyl-N-methyl-2-(2-naphthylsulfonylamino)pent-4-ynamide Formula: C28H32N4O3S MolecularWeight: 504.64368

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C=C(C=C1)C#CCC(C(=O)N(C)C2CCCC2)NS(=O)(=O)C3=CC4=CC=CC=C4C=C3)N

Isomeric SMILES

CNC1=C(C=C(C=C1)C#CC[C@@H](C(=O)N(C)C2CCCC2)NS(=O)(=O)C3=CC4=CC=CC=C4C=C3)N

InChI

InChI=1S/C28H32N4O3S/c1-30-26-17-14-20(18-25(26)29)8-7-13-27(28(33)32(2)23-11-5-6-12-23)31-36(34,35)24-16-15-21-9-3-4-10-22(21)19-24/h3-4,9-10,14-19,23,27,30-31H,5-6,11-13,29H2,1-2H3/t27-/m0/s1