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

Systemtic Name: (2S)-3-methyl-2-[(4-methylphenyl)sulfonylamino]-N-[(2-pyrrolidin-1-ylpyridin-4-yl)methyl]butanamide Openeye Name: (2S)-3-methyl-2-(p-tolylsulfonylamino)-N-[(2-pyrrolidin-1-yl-4-pyridyl)methyl]butanamide CAS Name: (2S)-3-methyl-2-[(4-methylphenyl)sulfonylamino]-N-[[2-(1-pyrrolidinyl)-4-pyridinyl]methyl]butanamide IUPAC Name: (2S)-3-methyl-2-[(4-methylphenyl)sulfonylamino]-N-[(2-pyrrolidin-1-ylpyridin-4-yl)methyl]butanamide Traditional Name: (2S)-3-methyl-N-[(2-pyrrolidino-4-pyridyl)methyl]-2-(tosylamino)butyramide Formula: C22H30N4O3S MolecularWeight: 430.5636

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(C(C)C)C(=O)NCC2=CC(=NC=C2)N3CCCC3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N[C@@H](C(C)C)C(=O)NCC2=CC(=NC=C2)N3CCCC3

InChI

InChI=1S/C22H30N4O3S/c1-16(2)21(25-30(28,29)19-8-6-17(3)7-9-19)22(27)24-15-18-10-11-23-20(14-18)26-12-4-5-13-26/h6-11,14,16,21,25H,4-5,12-13,15H2,1-3H3,(H,24,27)/t21-/m0/s1