N-[4-(azepan-1-ylsulfonyl)phenyl]-3-bromanyl-4-methoxy-benzenesulfonamide

Systemtic Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-3-bromanyl-4-methoxy-benzenesulfonamide Openeye Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-3-bromo-4-methoxy-benzenesulfonamide CAS Name: N-[4-(1-azepanylsulfonyl)phenyl]-3-bromo-4-methoxybenzenesulfonamide IUPAC Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-3-bromo-4-methoxybenzenesulfonamide Traditional Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-3-bromo-4-methoxy-benzenesulfonamide Formula: C19H23BrN2O5S2 MolecularWeight: 503.43032

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3)Br

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3)Br

InChI

InChI=1S/C19H23BrN2O5S2/c1-27-19-11-10-17(14-18(19)20)28(23,24)21-15-6-8-16(9-7-15)29(25,26)22-12-4-2-3-5-13-22/h6-11,14,21H,2-5,12-13H2,1H3