(2S)-3-[4-(aminomethyl)phenyl]-2-(anthracen-2-ylsulfonylamino)-N-cyclopentyl-N-methyl-propanamide

Systemtic Name: (2S)-3-[4-(aminomethyl)phenyl]-2-(anthracen-2-ylsulfonylamino)-N-cyclopentyl-N-methyl-propanamide Openeye Name: (2S)-3-[4-(aminomethyl)phenyl]-2-(2-anthrylsulfonylamino)-N-cyclopentyl-N-methyl-propanamide CAS Name: (2S)-3-[4-(aminomethyl)phenyl]-2-(2-anthracenylsulfonylamino)-N-cyclopentyl-N-methylpropanamide IUPAC Name: (2S)-3-[4-(aminomethyl)phenyl]-2-(anthracen-2-ylsulfonylamino)-N-cyclopentyl-N-methylpropanamide Traditional Name: (2S)-3-[4-(aminomethyl)phenyl]-2-(2-anthrylsulfonylamino)-N-cyclopentyl-N-methyl-propionamide Formula: C30H33N3O3S MolecularWeight: 515.66632

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCCC1)C(=O)C(CC2=CC=C(C=C2)CN)NS(=O)(=O)C3=CC4=CC5=CC=CC=C5C=C4C=C3

Isomeric SMILES

CN(C1CCCC1)C(=O)[C@H](CC2=CC=C(C=C2)CN)NS(=O)(=O)C3=CC4=CC5=CC=CC=C5C=C4C=C3

InChI

InChI=1S/C30H33N3O3S/c1-33(27-8-4-5-9-27)30(34)29(16-21-10-12-22(20-31)13-11-21)32-37(35,36)28-15-14-25-17-23-6-2-3-7-24(23)18-26(25)19-28/h2-3,6-7,10-15,17-19,27,29,32H,4-5,8-9,16,20,31H2,1H3/t29-/m0/s1