N-[2-[[[(2S)-1-cycloheptylpropan-2-yl]amino]methyl]phenyl]-4-pyrrol-1-yl-benzenesulfonamide

Systemtic Name: N-[2-[[[(2S)-1-cycloheptylpropan-2-yl]amino]methyl]phenyl]-4-pyrrol-1-yl-benzenesulfonamide Openeye Name: N-[2-[[[(1S)-2-cycloheptyl-1-methyl-ethyl]amino]methyl]phenyl]-4-pyrrol-1-yl-benzenesulfonamide CAS Name: N-[2-[[[(2S)-1-cycloheptylpropan-2-yl]amino]methyl]phenyl]-4-(1-pyrrolyl)benzenesulfonamide IUPAC Name: N-[2-[[[(2S)-1-cycloheptylpropan-2-yl]amino]methyl]phenyl]-4-pyrrol-1-ylbenzenesulfonamide Traditional Name: N-[2-[[[(1S)-2-cycloheptyl-1-methyl-ethyl]amino]methyl]phenyl]-4-pyrrol-1-yl-benzenesulfonamide Formula: C27H35N3O2S MolecularWeight: 465.6507

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1CCCCCC1)NCC2=CC=CC=C2NS(=O)(=O)C3=CC=C(C=C3)N4C=CC=C4

Isomeric SMILES

C[C@@H](CC1CCCCCC1)NCC2=CC=CC=C2NS(=O)(=O)C3=CC=C(C=C3)N4C=CC=C4

InChI

InChI=1S/C27H35N3O2S/c1-22(20-23-10-4-2-3-5-11-23)28-21-24-12-6-7-13-27(24)29-33(31,32)26-16-14-25(15-17-26)30-18-8-9-19-30/h6-9,12-19,22-23,28-29H,2-5,10-11,20-21H2,1H3/t22-/m0/s1