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

Systemtic Name: N-[4-[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]-1,3-thiazol-2-yl]-1-methylsulfonyl-piperidine-4-carboxamide Openeye Name: N-[4-[2,5-dimethyl-1-(p-tolyl)pyrrol-3-yl]thiazol-2-yl]-1-methylsulfonyl-piperidine-4-carboxamide CAS Name: N-[4-[2,5-dimethyl-1-(4-methylphenyl)-3-pyrrolyl]-2-thiazolyl]-1-methylsulfonyl-4-piperidinecarboxamide IUPAC Name: N-[4-[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]-1,3-thiazol-2-yl]-1-methylsulfonylpiperidine-4-carboxamide Traditional Name: N-[4-[2,5-dimethyl-1-(p-tolyl)pyrrol-3-yl]thiazol-2-yl]-1-mesyl-isonipecotamide Formula: C23H28N4O3S2 MolecularWeight: 472.62342

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=CC(=C2C)C3=CSC(=N3)NC(=O)C4CCN(CC4)S(=O)(=O)C)C

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=CC(=C2C)C3=CSC(=N3)NC(=O)C4CCN(CC4)S(=O)(=O)C)C

InChI

InChI=1S/C23H28N4O3S2/c1-15-5-7-19(8-6-15)27-16(2)13-20(17(27)3)21-14-31-23(24-21)25-22(28)18-9-11-26(12-10-18)32(4,29)30/h5-8,13-14,18H,9-12H2,1-4H3,(H,24,25,28)