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

Systemtic Name: N-[2-[[[(2S)-1-cycloheptylpropan-2-yl]amino]methyl]phenyl]-1-benzothiophene-2-sulfonamide Openeye Name: N-[2-[[[(1S)-2-cycloheptyl-1-methyl-ethyl]amino]methyl]phenyl]benzothiophene-2-sulfonamide CAS Name: N-[2-[[[(2S)-1-cycloheptylpropan-2-yl]amino]methyl]phenyl]-1-benzothiophene-2-sulfonamide IUPAC Name: N-[2-[[[(2S)-1-cycloheptylpropan-2-yl]amino]methyl]phenyl]-1-benzothiophene-2-sulfonamide Traditional Name: N-[2-[[[(1S)-2-cycloheptyl-1-methyl-ethyl]amino]methyl]phenyl]benzothiophene-2-sulfonamide Formula: C25H32N2O2S2 MolecularWeight: 456.66378

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1CCCCCC1)NCC2=CC=CC=C2NS(=O)(=O)C3=CC4=CC=CC=C4S3

Isomeric SMILES

C[C@@H](CC1CCCCCC1)NCC2=CC=CC=C2NS(=O)(=O)C3=CC4=CC=CC=C4S3

InChI

InChI=1S/C25H32N2O2S2/c1-19(16-20-10-4-2-3-5-11-20)26-18-22-13-6-8-14-23(22)27-31(28,29)25-17-21-12-7-9-15-24(21)30-25/h6-9,12-15,17,19-20,26-27H,2-5,10-11,16,18H2,1H3/t19-/m0/s1