N-(1,3-benzothiazol-2-yl)-1-methyl-N-(2-methylpropyl)-4-morpholin-4-ylsulfonyl-pyrrole-2-carboxamide

Systemtic Name: N-(1,3-benzothiazol-2-yl)-1-methyl-N-(2-methylpropyl)-4-morpholin-4-ylsulfonyl-pyrrole-2-carboxamide Openeye Name: N-(1,3-benzothiazol-2-yl)-N-isobutyl-1-methyl-4-morpholinosulfonyl-pyrrole-2-carboxamide CAS Name: N-(1,3-benzothiazol-2-yl)-1-methyl-N-(2-methylpropyl)-4-(4-morpholinylsulfonyl)-2-pyrrolecarboxamide IUPAC Name: N-(1,3-benzothiazol-2-yl)-1-methyl-N-(2-methylpropyl)-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide Traditional Name: N-(1,3-benzothiazol-2-yl)-N-isobutyl-1-methyl-4-morpholinosulfonyl-pyrrole-2-carboxamide Formula: C21H26N4O4S2 MolecularWeight: 462.58554

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(C1=NC2=CC=CC=C2S1)C(=O)C3=CC(=CN3C)S(=O)(=O)N4CCOCC4

Isomeric SMILES

CC(C)CN(C1=NC2=CC=CC=C2S1)C(=O)C3=CC(=CN3C)S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C21H26N4O4S2/c1-15(2)13-25(21-22-17-6-4-5-7-19(17)30-21)20(26)18-12-16(14-23(18)3)31(27,28)24-8-10-29-11-9-24/h4-7,12,14-15H,8-11,13H2,1-3H3