N-[3-(azepan-1-ylsulfonyl)phenyl]-2-morpholin-4-yl-5-piperidin-1-ylsulfonyl-benzamide

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-2-morpholin-4-yl-5-piperidin-1-ylsulfonyl-benzamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-2-morpholino-5-(1-piperidylsulfonyl)benzamide CAS Name: N-[3-(1-azepanylsulfonyl)phenyl]-2-(4-morpholinyl)-5-(1-piperidinylsulfonyl)benzamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-2-morpholin-4-yl-5-piperidin-1-ylsulfonylbenzamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-2-morpholino-5-piperidinosulfonyl-benzamide Formula: C28H38N4O6S2 MolecularWeight: 590.75452

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCCCC4)N5CCOCC5

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCCCC4)N5CCOCC5

InChI

InChI=1S/C28H38N4O6S2/c33-28(29-23-9-8-10-24(21-23)39(34,35)31-13-4-1-2-5-14-31)26-22-25(40(36,37)32-15-6-3-7-16-32)11-12-27(26)30-17-19-38-20-18-30/h8-12,21-22H,1-7,13-20H2,(H,29,33)