(2S)-3-methyl-2-[(4-methylphenyl)sulfonylamino]-N-[(1-phenylpyrrolidin-3-yl)methyl]butanamide

Systemtic Name: (2S)-3-methyl-2-[(4-methylphenyl)sulfonylamino]-N-[(1-phenylpyrrolidin-3-yl)methyl]butanamide Openeye Name: (2S)-3-methyl-N-[(1-phenylpyrrolidin-3-yl)methyl]-2-(p-tolylsulfonylamino)butanamide CAS Name: (2S)-3-methyl-2-[(4-methylphenyl)sulfonylamino]-N-[(1-phenyl-3-pyrrolidinyl)methyl]butanamide IUPAC Name: (2S)-3-methyl-2-[(4-methylphenyl)sulfonylamino]-N-[(1-phenylpyrrolidin-3-yl)methyl]butanamide Traditional Name: (2S)-3-methyl-N-[(1-phenylpyrrolidin-3-yl)methyl]-2-(tosylamino)butyramide Formula: C23H31N3O3S MolecularWeight: 429.57554

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(C(C)C)C(=O)NCC2CCN(C2)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N[C@@H](C(C)C)C(=O)NCC2CCN(C2)C3=CC=CC=C3

InChI

InChI=1S/C23H31N3O3S/c1-17(2)22(25-30(28,29)21-11-9-18(3)10-12-21)23(27)24-15-19-13-14-26(16-19)20-7-5-4-6-8-20/h4-12,17,19,22,25H,13-16H2,1-3H3,(H,24,27)/t19?,22-/m0/s1