4-(azepan-1-ylmethyl)-N-(4-methoxy-3-morpholin-4-ylsulfonyl-phenyl)benzamide

Systemtic Name: 4-(azepan-1-ylmethyl)-N-(4-methoxy-3-morpholin-4-ylsulfonyl-phenyl)benzamide Openeye Name: 4-(azepan-1-ylmethyl)-N-(4-methoxy-3-morpholinosulfonyl-phenyl)benzamide CAS Name: 4-(1-azepanylmethyl)-N-[4-methoxy-3-(4-morpholinylsulfonyl)phenyl]benzamide IUPAC Name: 4-(azepan-1-ylmethyl)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)benzamide Traditional Name: 4-(azepan-1-ylmethyl)-N-(4-methoxy-3-morpholinosulfonyl-phenyl)benzamide Formula: C25H33N3O5S MolecularWeight: 487.61162

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCCCCC3)S(=O)(=O)N4CCOCC4

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCCCCC3)S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C25H33N3O5S/c1-32-23-11-10-22(18-24(23)34(30,31)28-14-16-33-17-15-28)26-25(29)21-8-6-20(7-9-21)19-27-12-4-2-3-5-13-27/h6-11,18H,2-5,12-17,19H2,1H3,(H,26,29)