(E)-N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-phenyl-ethenesulfonamide

Systemtic Name: (E)-N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-phenyl-ethenesulfonamide Openeye Name: (E)-N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-phenyl-ethenesulfonamide CAS Name: (E)-N-[5-(1-azepanylsulfonyl)-2-methoxyphenyl]-2-phenylethenesulfonamide IUPAC Name: (E)-N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-2-phenylethenesulfonamide Traditional Name: (E)-N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-phenyl-ethenesulfonamide Formula: C21H26N2O5S2 MolecularWeight: 450.57154

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)NS(=O)(=O)C=CC3=CC=CC=C3

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)NS(=O)(=O)/C=C/C3=CC=CC=C3

InChI

InChI=1S/C21H26N2O5S2/c1-28-21-12-11-19(30(26,27)23-14-7-2-3-8-15-23)17-20(21)22-29(24,25)16-13-18-9-5-4-6-10-18/h4-6,9-13,16-17,22H,2-3,7-8,14-15H2,1H3/b16-13+