N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-1-(1-methylpyrrol-3-yl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-1-(1-methylpyrrol-3-yl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-[4-(2,4-dimethylphenyl)thiazol-2-yl]-1-(1-methylpyrrol-3-yl)sulfonyl-piperidine-4-carboxamide CAS Name: N-[4-(2,4-dimethylphenyl)-2-thiazolyl]-1-[(1-methyl-3-pyrrolyl)sulfonyl]-4-piperidinecarboxamide IUPAC Name: N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-1-(1-methylpyrrol-3-yl)sulfonylpiperidine-4-carboxamide Traditional Name: N-[4-(2,4-dimethylphenyl)thiazol-2-yl]-1-(1-methylpyrrol-3-yl)sulfonyl-isonipecotamide Formula: C22H26N4O3S2 MolecularWeight: 458.59684

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C2=CSC(=N2)NC(=O)C3CCN(CC3)S(=O)(=O)C4=CN(C=C4)C)C

Isomeric SMILES

CC1=CC(=C(C=C1)C2=CSC(=N2)NC(=O)C3CCN(CC3)S(=O)(=O)C4=CN(C=C4)C)C

InChI

InChI=1S/C22H26N4O3S2/c1-15-4-5-19(16(2)12-15)20-14-30-22(23-20)24-21(27)17-6-10-26(11-7-17)31(28,29)18-8-9-25(3)13-18/h4-5,8-9,12-14,17H,6-7,10-11H2,1-3H3,(H,23,24,27)