N-[(2S,4S)-4-isocyano-4-(4-methoxyphenyl)-1-phenyl-butan-2-yl]-4-methyl-benzenesulfonamide

Systemtic Name: N-[(2S,4S)-4-isocyano-4-(4-methoxyphenyl)-1-phenyl-butan-2-yl]-4-methyl-benzenesulfonamide Openeye Name: N-[(1S,3S)-1-benzyl-3-isocyano-3-(4-methoxyphenyl)propyl]-4-methyl-benzenesulfonamide CAS Name: N-[(2S,4S)-4-isocyano-4-(4-methoxyphenyl)-1-phenylbutan-2-yl]-4-methylbenzenesulfonamide IUPAC Name: N-[(2S,4S)-4-isocyano-4-(4-methoxyphenyl)-1-phenylbutan-2-yl]-4-methylbenzenesulfonamide Traditional Name: N-[(1S,3S)-1-benzyl-3-isocyano-3-(4-methoxyphenyl)propyl]-4-methyl-benzenesulfonamide Formula: C25H26N2O3S MolecularWeight: 434.55054

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(CC2=CC=CC=C2)CC(C3=CC=C(C=C3)OC)[N+]#[C-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N[C@@H](CC2=CC=CC=C2)C[C@@H](C3=CC=C(C=C3)OC)[N+]#[C-]

InChI

InChI=1S/C25H26N2O3S/c1-19-9-15-24(16-10-19)31(28,29)27-22(17-20-7-5-4-6-8-20)18-25(26-2)21-11-13-23(30-3)14-12-21/h4-16,22,25,27H,17-18H2,1,3H3/t22-,25-/m0/s1