N-[4-(azepan-1-ylsulfonyl)phenyl]-3-(3-oxidanylidene-1,4-benzoxazin-4-yl)propanamide

Systemtic Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-3-(3-oxidanylidene-1,4-benzoxazin-4-yl)propanamide Openeye Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide CAS Name: N-[4-(1-azepanylsulfonyl)phenyl]-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide IUPAC Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide Traditional Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-3-(3-keto-1,4-benzoxazin-4-yl)propionamide Formula: C23H27N3O5S MolecularWeight: 457.54258

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CCN3C(=O)COC4=CC=CC=C43

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CCN3C(=O)COC4=CC=CC=C43

InChI

InChI=1S/C23H27N3O5S/c27-22(13-16-26-20-7-3-4-8-21(20)31-17-23(26)28)24-18-9-11-19(12-10-18)32(29,30)25-14-5-1-2-6-15-25/h3-4,7-12H,1-2,5-6,13-17H2,(H,24,27)