3-[[(2S)-2-[(4-methylphenyl)sulfonylamino]propanoyl]amino]-4-pyrrolidin-1-yl-benzamide

Systemtic Name: 3-[[(2S)-2-[(4-methylphenyl)sulfonylamino]propanoyl]amino]-4-pyrrolidin-1-yl-benzamide Openeye Name: 3-[[(2S)-2-(p-tolylsulfonylamino)propanoyl]amino]-4-pyrrolidin-1-yl-benzamide CAS Name: 3-[[(2S)-2-[(4-methylphenyl)sulfonylamino]-1-oxopropyl]amino]-4-(1-pyrrolidinyl)benzamide IUPAC Name: 3-[[(2S)-2-[(4-methylphenyl)sulfonylamino]propanoyl]amino]-4-pyrrolidin-1-ylbenzamide Traditional Name: 4-pyrrolidino-3-[[(2S)-2-(tosylamino)propanoyl]amino]benzamide Formula: C21H26N4O4S MolecularWeight: 430.52054

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(C)C(=O)NC2=C(C=CC(=C2)C(=O)N)N3CCCC3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N[C@@H](C)C(=O)NC2=C(C=CC(=C2)C(=O)N)N3CCCC3

InChI

InChI=1S/C21H26N4O4S/c1-14-5-8-17(9-6-14)30(28,29)24-15(2)21(27)23-18-13-16(20(22)26)7-10-19(18)25-11-3-4-12-25/h5-10,13,15,24H,3-4,11-12H2,1-2H3,(H2,22,26)(H,23,27)/t15-/m0/s1