N-[4-[1-(4-methoxyphenyl)-2,5-dimethyl-pyrrol-3-yl]-1,3-thiazol-2-yl]-1-methylsulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[4-[1-(4-methoxyphenyl)-2,5-dimethyl-pyrrol-3-yl]-1,3-thiazol-2-yl]-1-methylsulfonyl-piperidine-4-carboxamide Openeye Name: N-[4-[1-(4-methoxyphenyl)-2,5-dimethyl-pyrrol-3-yl]thiazol-2-yl]-1-methylsulfonyl-piperidine-4-carboxamide CAS Name: N-[4-[1-(4-methoxyphenyl)-2,5-dimethyl-3-pyrrolyl]-2-thiazolyl]-1-methylsulfonyl-4-piperidinecarboxamide IUPAC Name: N-[4-[1-(4-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]-1,3-thiazol-2-yl]-1-methylsulfonylpiperidine-4-carboxamide Traditional Name: 1-mesyl-N-[4-[1-(4-methoxyphenyl)-2,5-dimethyl-pyrrol-3-yl]thiazol-2-yl]isonipecotamide Formula: C23H28N4O4S2 MolecularWeight: 488.62282

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=C(C=C2)OC)C)C3=CSC(=N3)NC(=O)C4CCN(CC4)S(=O)(=O)C

Isomeric SMILES

CC1=CC(=C(N1C2=CC=C(C=C2)OC)C)C3=CSC(=N3)NC(=O)C4CCN(CC4)S(=O)(=O)C

InChI

InChI=1S/C23H28N4O4S2/c1-15-13-20(16(2)27(15)18-5-7-19(31-3)8-6-18)21-14-32-23(24-21)25-22(28)17-9-11-26(12-10-17)33(4,29)30/h5-8,13-14,17H,9-12H2,1-4H3,(H,24,25,28)