N-(6-butyl-1,3-benzothiazol-2-yl)-1-methyl-4-morpholin-4-ylsulfonyl-pyrrole-2-carboxamide

Systemtic Name: N-(6-butyl-1,3-benzothiazol-2-yl)-1-methyl-4-morpholin-4-ylsulfonyl-pyrrole-2-carboxamide Openeye Name: N-(6-butyl-1,3-benzothiazol-2-yl)-1-methyl-4-morpholinosulfonyl-pyrrole-2-carboxamide CAS Name: N-(6-butyl-1,3-benzothiazol-2-yl)-1-methyl-4-(4-morpholinylsulfonyl)-2-pyrrolecarboxamide IUPAC Name: N-(6-butyl-1,3-benzothiazol-2-yl)-1-methyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide Traditional Name: N-(6-butyl-1,3-benzothiazol-2-yl)-1-methyl-4-morpholinosulfonyl-pyrrole-2-carboxamide Formula: C21H26N4O4S2 MolecularWeight: 462.58554

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC(=CN3C)S(=O)(=O)N4CCOCC4

Isomeric SMILES

CCCCC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC(=CN3C)S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C21H26N4O4S2/c1-3-4-5-15-6-7-17-19(12-15)30-21(22-17)23-20(26)18-13-16(14-24(18)2)31(27,28)25-8-10-29-11-9-25/h6-7,12-14H,3-5,8-11H2,1-2H3,(H,22,23,26)