N-[2-(azepan-1-yl)-5-morpholin-4-ylsulfonyl-phenyl]-2-(1,2-benzoxazol-3-yl)ethanamide

Systemtic Name: N-[2-(azepan-1-yl)-5-morpholin-4-ylsulfonyl-phenyl]-2-(1,2-benzoxazol-3-yl)ethanamide Openeye Name: N-[2-(azepan-1-yl)-5-morpholinosulfonyl-phenyl]-2-(1,2-benzoxazol-3-yl)acetamide CAS Name: N-[2-(1-azepanyl)-5-(4-morpholinylsulfonyl)phenyl]-2-(1,2-benzoxazol-3-yl)acetamide IUPAC Name: N-[2-(azepan-1-yl)-5-morpholin-4-ylsulfonylphenyl]-2-(1,2-benzoxazol-3-yl)acetamide Traditional Name: N-[2-(azepan-1-yl)-5-morpholinosulfonyl-phenyl]-2-indoxazen-3-yl-acetamide Formula: C25H30N4O5S MolecularWeight: 498.5945

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)NC(=O)CC4=NOC5=CC=CC=C54

Isomeric SMILES

C1CCCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)NC(=O)CC4=NOC5=CC=CC=C54

InChI

InChI=1S/C25H30N4O5S/c30-25(18-21-20-7-3-4-8-24(20)34-27-21)26-22-17-19(35(31,32)29-13-15-33-16-14-29)9-10-23(22)28-11-5-1-2-6-12-28/h3-4,7-10,17H,1-2,5-6,11-16,18H2,(H,26,30)