N-[2-[4-(azepan-1-yl)phenyl]ethyl]-3-chloranyl-4-methoxy-benzenesulfonamide

Systemtic Name: N-[2-[4-(azepan-1-yl)phenyl]ethyl]-3-chloranyl-4-methoxy-benzenesulfonamide Openeye Name: N-[2-[4-(azepan-1-yl)phenyl]ethyl]-3-chloro-4-methoxy-benzenesulfonamide CAS Name: N-[2-[4-(1-azepanyl)phenyl]ethyl]-3-chloro-4-methoxybenzenesulfonamide IUPAC Name: N-[2-[4-(azepan-1-yl)phenyl]ethyl]-3-chloro-4-methoxybenzenesulfonamide Traditional Name: N-[2-[4-(azepan-1-yl)phenyl]ethyl]-3-chloro-4-methoxy-benzenesulfonamide Formula: C21H27ClN2O3S MolecularWeight: 422.96868

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)NCCC2=CC=C(C=C2)N3CCCCCC3)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)NCCC2=CC=C(C=C2)N3CCCCCC3)Cl

InChI

InChI=1S/C21H27ClN2O3S/c1-27-21-11-10-19(16-20(21)22)28(25,26)23-13-12-17-6-8-18(9-7-17)24-14-4-2-3-5-15-24/h6-11,16,23H,2-5,12-15H2,1H3