N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-oxidanylidene-3H-1,3-benzoxazole-6-sulfonamide

Systemtic Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-oxidanylidene-3H-1,3-benzoxazole-6-sulfonamide Openeye Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-oxo-3H-1,3-benzoxazole-6-sulfonamide CAS Name: N-[5-(1-azepanylsulfonyl)-2-methoxyphenyl]-2-oxo-3H-1,3-benzoxazole-6-sulfonamide IUPAC Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-2-oxo-3H-1,3-benzoxazole-6-sulfonamide Traditional Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-keto-3H-1,3-benzoxazole-6-sulfonamide Formula: C20H23N3O7S2 MolecularWeight: 481.54252

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)NS(=O)(=O)C3=CC4=C(C=C3)NC(=O)O4

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)NS(=O)(=O)C3=CC4=C(C=C3)NC(=O)O4

InChI

InChI=1S/C20H23N3O7S2/c1-29-18-9-7-15(32(27,28)23-10-4-2-3-5-11-23)12-17(18)22-31(25,26)14-6-8-16-19(13-14)30-20(24)21-16/h6-9,12-13,22H,2-5,10-11H2,1H3,(H,21,24)