N-[4-bromanyl-3-[(2-pentan-2-yl-1,4-diazepan-1-yl)carbonyl]phenyl]-3,4-dimethoxy-benzenesulfonamide

Systemtic Name: N-[4-bromanyl-3-[(2-pentan-2-yl-1,4-diazepan-1-yl)carbonyl]phenyl]-3,4-dimethoxy-benzenesulfonamide Openeye Name: N-[4-bromo-3-[2-(1-methylbutyl)-1,4-diazepane-1-carbonyl]phenyl]-3,4-dimethoxy-benzenesulfonamide CAS Name: N-[4-bromo-3-[oxo-(2-pentan-2-yl-1,4-diazepan-1-yl)methyl]phenyl]-3,4-dimethoxybenzenesulfonamide IUPAC Name: N-[4-bromo-3-(2-pentan-2-yl-1,4-diazepane-1-carbonyl)phenyl]-3,4-dimethoxybenzenesulfonamide Traditional Name: N-[4-bromo-3-[2-(1-methylbutyl)-1,4-diazepane-1-carbonyl]phenyl]-3,4-dimethoxy-benzenesulfonamide Formula: C25H34BrN3O5S MolecularWeight: 568.52356

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)C1CNCCCN1C(=O)C2=C(C=CC(=C2)NS(=O)(=O)C3=CC(=C(C=C3)OC)OC)Br

Isomeric SMILES

CCCC(C)C1CNCCCN1C(=O)C2=C(C=CC(=C2)NS(=O)(=O)C3=CC(=C(C=C3)OC)OC)Br

InChI

InChI=1S/C25H34BrN3O5S/c1-5-7-17(2)22-16-27-12-6-13-29(22)25(30)20-14-18(8-10-21(20)26)28-35(31,32)19-9-11-23(33-3)24(15-19)34-4/h8-11,14-15,17,22,27-28H,5-7,12-13,16H2,1-4H3