N-[2-(azepan-1-yl)-5-morpholin-4-ylsulfonyl-phenyl]-4-butoxy-benzamide

Systemtic Name: N-[2-(azepan-1-yl)-5-morpholin-4-ylsulfonyl-phenyl]-4-butoxy-benzamide Openeye Name: N-[2-(azepan-1-yl)-5-morpholinosulfonyl-phenyl]-4-butoxy-benzamide CAS Name: N-[2-(1-azepanyl)-5-(4-morpholinylsulfonyl)phenyl]-4-butoxybenzamide IUPAC Name: N-[2-(azepan-1-yl)-5-morpholin-4-ylsulfonylphenyl]-4-butoxybenzamide Traditional Name: N-[2-(azepan-1-yl)-5-morpholinosulfonyl-phenyl]-4-butoxy-benzamide Formula: C27H37N3O5S MolecularWeight: 515.66478

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)N4CCCCCC4

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)N4CCCCCC4

InChI

InChI=1S/C27H37N3O5S/c1-2-3-18-35-23-10-8-22(9-11-23)27(31)28-25-21-24(36(32,33)30-16-19-34-20-17-30)12-13-26(25)29-14-6-4-5-7-15-29/h8-13,21H,2-7,14-20H2,1H3,(H,28,31)