N-[2-(azepan-1-yl)-5-morpholin-4-ylsulfonyl-phenyl]cyclohex-3-ene-1-carboxamide

Systemtic Name: N-[2-(azepan-1-yl)-5-morpholin-4-ylsulfonyl-phenyl]cyclohex-3-ene-1-carboxamide Openeye Name: N-[2-(azepan-1-yl)-5-morpholinosulfonyl-phenyl]cyclohex-3-ene-1-carboxamide CAS Name: N-[2-(1-azepanyl)-5-(4-morpholinylsulfonyl)phenyl]-1-cyclohex-3-enecarboxamide IUPAC Name: N-[2-(azepan-1-yl)-5-morpholin-4-ylsulfonylphenyl]cyclohex-3-ene-1-carboxamide Traditional Name: N-[2-(azepan-1-yl)-5-morpholinosulfonyl-phenyl]cyclohex-3-ene-1-carboxamide Formula: C23H33N3O4S MolecularWeight: 447.59082

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)NC(=O)C4CCC=CC4

Isomeric SMILES

C1CCCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)NC(=O)C4CCC=CC4

InChI

InChI=1S/C23H33N3O4S/c27-23(19-8-4-3-5-9-19)24-21-18-20(31(28,29)26-14-16-30-17-15-26)10-11-22(21)25-12-6-1-2-7-13-25/h3-4,10-11,18-19H,1-2,5-9,12-17H2,(H,24,27)