N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-4-(2-methyl-1,3-thiazol-4-yl)-1H-pyrrole-2-carboxamide

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-4-(2-methyl-1,3-thiazol-4-yl)-1H-pyrrole-2-carboxamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-4-(2-methylthiazol-4-yl)-1H-pyrrole-2-carboxamide CAS Name: N-[3-(1-azepanylsulfonyl)-4-methylphenyl]-4-(2-methyl-4-thiazolyl)-1H-pyrrole-2-carboxamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-4-(2-methyl-1,3-thiazol-4-yl)-1H-pyrrole-2-carboxamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-4-(2-methylthiazol-4-yl)-1H-pyrrole-2-carboxamide Formula: C22H26N4O3S2 MolecularWeight: 458.59684

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2=CC(=CN2)C3=CSC(=N3)C)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2=CC(=CN2)C3=CSC(=N3)C)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C22H26N4O3S2/c1-15-7-8-18(12-21(15)31(28,29)26-9-5-3-4-6-10-26)25-22(27)19-11-17(13-23-19)20-14-30-16(2)24-20/h7-8,11-14,23H,3-6,9-10H2,1-2H3,(H,25,27)