N-[(2S)-1-(1H-imidazol-5-yl)-3-[(phenylmethyl)amino]propan-2-yl]-4-methyl-naphthalene-1-sulfonamide

Systemtic Name: N-[(2S)-1-(1H-imidazol-5-yl)-3-[(phenylmethyl)amino]propan-2-yl]-4-methyl-naphthalene-1-sulfonamide Openeye Name: N-[(1S)-1-[(benzylamino)methyl]-2-(1H-imidazol-5-yl)ethyl]-4-methyl-naphthalene-1-sulfonamide CAS Name: N-[(2S)-1-(1H-imidazol-5-yl)-3-[(phenylmethyl)amino]propan-2-yl]-4-methyl-1-naphthalenesulfonamide IUPAC Name: N-[(2S)-1-(benzylamino)-3-(1H-imidazol-5-yl)propan-2-yl]-4-methylnaphthalene-1-sulfonamide Traditional Name: N-[(1S)-1-[(benzylamino)methyl]-2-(1H-imidazol-5-yl)ethyl]-4-methyl-naphthalene-1-sulfonamide Formula: C24H26N4O2S MolecularWeight: 434.55384

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C2=CC=CC=C12)S(=O)(=O)NC(CC3=CN=CN3)CNCC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C2=CC=CC=C12)S(=O)(=O)N[C@@H](CC3=CN=CN3)CNCC4=CC=CC=C4

InChI

InChI=1S/C24H26N4O2S/c1-18-11-12-24(23-10-6-5-9-22(18)23)31(29,30)28-21(13-20-15-26-17-27-20)16-25-14-19-7-3-2-4-8-19/h2-12,15,17,21,25,28H,13-14,16H2,1H3,(H,26,27)/t21-/m0/s1