N-[4-(azepan-1-yl)phenyl]-1-methyl-4-morpholin-4-ylsulfonyl-pyrrole-2-carboxamide

Systemtic Name: N-[4-(azepan-1-yl)phenyl]-1-methyl-4-morpholin-4-ylsulfonyl-pyrrole-2-carboxamide Openeye Name: N-[4-(azepan-1-yl)phenyl]-1-methyl-4-morpholinosulfonyl-pyrrole-2-carboxamide CAS Name: N-[4-(1-azepanyl)phenyl]-1-methyl-4-(4-morpholinylsulfonyl)-2-pyrrolecarboxamide IUPAC Name: N-[4-(azepan-1-yl)phenyl]-1-methyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide Traditional Name: N-[4-(azepan-1-yl)phenyl]-1-methyl-4-morpholinosulfonyl-pyrrole-2-carboxamide Formula: C22H30N4O4S MolecularWeight: 446.563

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=C1C(=O)NC2=CC=C(C=C2)N3CCCCCC3)S(=O)(=O)N4CCOCC4

Isomeric SMILES

CN1C=C(C=C1C(=O)NC2=CC=C(C=C2)N3CCCCCC3)S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C22H30N4O4S/c1-24-17-20(31(28,29)26-12-14-30-15-13-26)16-21(24)22(27)23-18-6-8-19(9-7-18)25-10-4-2-3-5-11-25/h6-9,16-17H,2-5,10-15H2,1H3,(H,23,27)