N-[2-[[[(2S)-1-cycloheptylpropan-2-yl]amino]methyl]phenyl]-2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinoline-6-sulfonamide

Systemtic Name: N-[2-[[[(2S)-1-cycloheptylpropan-2-yl]amino]methyl]phenyl]-2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinoline-6-sulfonamide Openeye Name: N-[2-[[[(1S)-2-cycloheptyl-1-methyl-ethyl]amino]methyl]phenyl]-2-(2-thienylsulfonyl)-3,4-dihydro-1H-isoquinoline-6-sulfonamide CAS Name: N-[2-[[[(2S)-1-cycloheptylpropan-2-yl]amino]methyl]phenyl]-2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinoline-6-sulfonamide IUPAC Name: N-[2-[[[(2S)-1-cycloheptylpropan-2-yl]amino]methyl]phenyl]-2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinoline-6-sulfonamide Traditional Name: N-[2-[[[(1S)-2-cycloheptyl-1-methyl-ethyl]amino]methyl]phenyl]-2-(2-thienylsulfonyl)-3,4-dihydro-1H-isoquinoline-6-sulfonamide Formula: C30H39N3O4S3 MolecularWeight: 601.84336

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1CCCCCC1)NCC2=CC=CC=C2NS(=O)(=O)C3=CC4=C(CN(CC4)S(=O)(=O)C5=CC=CS5)C=C3

Isomeric SMILES

C[C@@H](CC1CCCCCC1)NCC2=CC=CC=C2NS(=O)(=O)C3=CC4=C(CN(CC4)S(=O)(=O)C5=CC=CS5)C=C3

InChI

InChI=1S/C30H39N3O4S3/c1-23(19-24-9-4-2-3-5-10-24)31-21-26-11-6-7-12-29(26)32-39(34,35)28-15-14-27-22-33(17-16-25(27)20-28)40(36,37)30-13-8-18-38-30/h6-8,11-15,18,20,23-24,31-32H,2-5,9-10,16-17,19,21-22H2,1H3/t23-/m0/s1