4-[4-[(2,3-dimethyl-2,3-dihydro-1-benzofuran-7-yl)carbonyl]piperazin-1-yl]sulfonyl-1-methyl-pyrrole-2-carboxamide

Systemtic Name: 4-[4-[(2,3-dimethyl-2,3-dihydro-1-benzofuran-7-yl)carbonyl]piperazin-1-yl]sulfonyl-1-methyl-pyrrole-2-carboxamide Openeye Name: 4-[4-(2,3-dimethyl-2,3-dihydrobenzofuran-7-carbonyl)piperazin-1-yl]sulfonyl-1-methyl-pyrrole-2-carboxamide CAS Name: 4-[[4-[(2,3-dimethyl-2,3-dihydrobenzofuran-7-yl)-oxomethyl]-1-piperazinyl]sulfonyl]-1-methyl-2-pyrrolecarboxamide IUPAC Name: 4-[4-(2,3-dimethyl-2,3-dihydro-1-benzofuran-7-carbonyl)piperazin-1-yl]sulfonyl-1-methylpyrrole-2-carboxamide Traditional Name: 4-[4-(2,3-dimethylcoumaran-7-carbonyl)piperazino]sulfonyl-1-methyl-pyrrole-2-carboxamide Formula: C21H26N4O5S MolecularWeight: 446.51994

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(OC2=C(C=CC=C12)C(=O)N3CCN(CC3)S(=O)(=O)C4=CN(C(=C4)C(=O)N)C)C

Isomeric SMILES

CC1C(OC2=C(C=CC=C12)C(=O)N3CCN(CC3)S(=O)(=O)C4=CN(C(=C4)C(=O)N)C)C

InChI

InChI=1S/C21H26N4O5S/c1-13-14(2)30-19-16(13)5-4-6-17(19)21(27)24-7-9-25(10-8-24)31(28,29)15-11-18(20(22)26)23(3)12-15/h4-6,11-14H,7-10H2,1-3H3,(H2,22,26)