(2S)-N-[1-(1H-benzimidazol-2-yl)-2-phenyl-ethyl]-2-[(4-methylphenyl)sulfonylamino]propanamide

Systemtic Name: (2S)-N-[1-(1H-benzimidazol-2-yl)-2-phenyl-ethyl]-2-[(4-methylphenyl)sulfonylamino]propanamide Openeye Name: (2S)-N-[1-(1H-benzimidazol-2-yl)-2-phenyl-ethyl]-2-(p-tolylsulfonylamino)propanamide CAS Name: (2S)-N-[1-(1H-benzimidazol-2-yl)-2-phenylethyl]-2-[(4-methylphenyl)sulfonylamino]propanamide IUPAC Name: (2S)-N-[1-(1H-benzimidazol-2-yl)-2-phenylethyl]-2-[(4-methylphenyl)sulfonylamino]propanamide Traditional Name: (2S)-N-[1-(1H-benzimidazol-2-yl)-2-phenyl-ethyl]-2-(tosylamino)propionamide Formula: C25H26N4O3S MolecularWeight: 462.56394

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(C)C(=O)NC(CC2=CC=CC=C2)C3=NC4=CC=CC=C4N3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N[C@@H](C)C(=O)NC(CC2=CC=CC=C2)C3=NC4=CC=CC=C4N3

InChI

InChI=1S/C25H26N4O3S/c1-17-12-14-20(15-13-17)33(31,32)29-18(2)25(30)28-23(16-19-8-4-3-5-9-19)24-26-21-10-6-7-11-22(21)27-24/h3-15,18,23,29H,16H2,1-2H3,(H,26,27)(H,28,30)/t18-,23?/m0/s1