N-[4-(2,5-dimethylpyrrol-1-yl)phenyl]-3-[(4-methylphenyl)sulfonylamino]propanamide

Systemtic Name: N-[4-(2,5-dimethylpyrrol-1-yl)phenyl]-3-[(4-methylphenyl)sulfonylamino]propanamide Openeye Name: N-[4-(2,5-dimethylpyrrol-1-yl)phenyl]-3-(p-tolylsulfonylamino)propanamide CAS Name: N-[4-(2,5-dimethyl-1-pyrrolyl)phenyl]-3-[(4-methylphenyl)sulfonylamino]propanamide IUPAC Name: N-[4-(2,5-dimethylpyrrol-1-yl)phenyl]-3-[(4-methylphenyl)sulfonylamino]propanamide Traditional Name: N-[4-(2,5-dimethylpyrrol-1-yl)phenyl]-3-(tosylamino)propionamide Formula: C22H25N3O3S MolecularWeight: 411.5172

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)NC2=CC=C(C=C2)N3C(=CC=C3C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)NC2=CC=C(C=C2)N3C(=CC=C3C)C

InChI

InChI=1S/C22H25N3O3S/c1-16-4-12-21(13-5-16)29(27,28)23-15-14-22(26)24-19-8-10-20(11-9-19)25-17(2)6-7-18(25)3/h4-13,23H,14-15H2,1-3H3,(H,24,26)