N-[4-(azepan-1-ylsulfonyl)phenyl]-3-oxidanylidene-4H-1,4-benzoxazine-6-sulfonamide

Systemtic Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-3-oxidanylidene-4H-1,4-benzoxazine-6-sulfonamide Openeye Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-3-oxo-4H-1,4-benzoxazine-6-sulfonamide CAS Name: N-[4-(1-azepanylsulfonyl)phenyl]-3-oxo-4H-1,4-benzoxazine-6-sulfonamide IUPAC Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-3-oxo-4H-1,4-benzoxazine-6-sulfonamide Traditional Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-3-keto-4H-1,4-benzoxazine-6-sulfonamide Formula: C20H23N3O6S2 MolecularWeight: 465.54312

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC4=C(C=C3)OCC(=O)N4

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC4=C(C=C3)OCC(=O)N4

InChI

InChI=1S/C20H23N3O6S2/c24-20-14-29-19-10-9-17(13-18(19)21-20)30(25,26)22-15-5-7-16(8-6-15)31(27,28)23-11-3-1-2-4-12-23/h5-10,13,22H,1-4,11-12,14H2,(H,21,24)