4-[2-[(2-methyl-5-piperidin-1-ylsulfonyl-phenyl)carbonylamino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxamide

Systemtic Name: 4-[2-[(2-methyl-5-piperidin-1-ylsulfonyl-phenyl)carbonylamino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxamide Openeye Name: 4-[2-[[2-methyl-5-(1-piperidylsulfonyl)benzoyl]amino]thiazol-4-yl]-1H-pyrrole-2-carboxamide CAS Name: 4-[2-[[[2-methyl-5-(1-piperidinylsulfonyl)phenyl]-oxomethyl]amino]-4-thiazolyl]-1H-pyrrole-2-carboxamide IUPAC Name: 4-[2-[(2-methyl-5-piperidin-1-ylsulfonylbenzoyl)amino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxamide Traditional Name: 4-[2-[(2-methyl-5-piperidinosulfonyl-benzoyl)amino]thiazol-4-yl]-1H-pyrrole-2-carboxamide Formula: C21H23N5O4S2 MolecularWeight: 473.56842

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)C(=O)NC3=NC(=CS3)C4=CNC(=C4)C(=O)N

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)C(=O)NC3=NC(=CS3)C4=CNC(=C4)C(=O)N

InChI

InChI=1S/C21H23N5O4S2/c1-13-5-6-15(32(29,30)26-7-3-2-4-8-26)10-16(13)20(28)25-21-24-18(12-31-21)14-9-17(19(22)27)23-11-14/h5-6,9-12,23H,2-4,7-8H2,1H3,(H2,22,27)(H,24,25,28)