N-[4-(azepan-1-ylsulfonyl)phenyl]-2-oxidanylidene-chromene-6-sulfonamide

Systemtic Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-oxidanylidene-chromene-6-sulfonamide Openeye Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-oxo-chromene-6-sulfonamide CAS Name: N-[4-(1-azepanylsulfonyl)phenyl]-2-oxo-1-benzopyran-6-sulfonamide IUPAC Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-oxochromene-6-sulfonamide Traditional Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-keto-chromene-6-sulfonamide Formula: C21H22N2O6S2 MolecularWeight: 462.53918

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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)OC(=O)C=C4

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC4=C(C=C3)OC(=O)C=C4

InChI

InChI=1S/C21H22N2O6S2/c24-21-12-5-16-15-19(10-11-20(16)29-21)30(25,26)22-17-6-8-18(9-7-17)31(27,28)23-13-3-1-2-4-14-23/h5-12,15,22H,1-4,13-14H2