N-[2-[[[(2S)-1-cyclopentylpropan-2-yl]amino]methyl]phenyl]-1-benzothiophene-2-sulfonamide

Systemtic Name: N-[2-[[[(2S)-1-cyclopentylpropan-2-yl]amino]methyl]phenyl]-1-benzothiophene-2-sulfonamide Openeye Name: N-[2-[[[(1S)-2-cyclopentyl-1-methyl-ethyl]amino]methyl]phenyl]benzothiophene-2-sulfonamide CAS Name: N-[2-[[[(2S)-1-cyclopentylpropan-2-yl]amino]methyl]phenyl]-1-benzothiophene-2-sulfonamide IUPAC Name: N-[2-[[[(2S)-1-cyclopentylpropan-2-yl]amino]methyl]phenyl]-1-benzothiophene-2-sulfonamide Traditional Name: N-[2-[[[(1S)-2-cyclopentyl-1-methyl-ethyl]amino]methyl]phenyl]benzothiophene-2-sulfonamide Formula: C23H28N2O2S2 MolecularWeight: 428.61062

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1CCCC1)NCC2=CC=CC=C2NS(=O)(=O)C3=CC4=CC=CC=C4S3

Isomeric SMILES

C[C@@H](CC1CCCC1)NCC2=CC=CC=C2NS(=O)(=O)C3=CC4=CC=CC=C4S3

InChI

InChI=1S/C23H28N2O2S2/c1-17(14-18-8-2-3-9-18)24-16-20-11-4-6-12-21(20)25-29(26,27)23-15-19-10-5-7-13-22(19)28-23/h4-7,10-13,15,17-18,24-25H,2-3,8-9,14,16H2,1H3/t17-/m0/s1