4-[[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]carbonyl]-N-prop-2-enyl-benzenesulfonamide

Systemtic Name: 4-[[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]carbonyl]-N-prop-2-enyl-benzenesulfonamide Openeye Name: N-allyl-4-[4-[(4-methoxyphenyl)methyl]-1,4-diazepane-1-carbonyl]benzenesulfonamide CAS Name: 4-[[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]-oxomethyl]-N-prop-2-enylbenzenesulfonamide IUPAC Name: 4-[4-[(4-methoxyphenyl)methyl]-1,4-diazepane-1-carbonyl]-N-prop-2-enylbenzenesulfonamide Traditional Name: N-allyl-4-(4-p-anisyl-1,4-diazepane-1-carbonyl)benzenesulfonamide Formula: C23H29N3O4S MolecularWeight: 443.55906

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CN2CCCN(CC2)C(=O)C3=CC=C(C=C3)S(=O)(=O)NCC=C

Isomeric SMILES

COC1=CC=C(C=C1)CN2CCCN(CC2)C(=O)C3=CC=C(C=C3)S(=O)(=O)NCC=C

InChI

InChI=1S/C23H29N3O4S/c1-3-13-24-31(28,29)22-11-7-20(8-12-22)23(27)26-15-4-14-25(16-17-26)18-19-5-9-21(30-2)10-6-19/h3,5-12,24H,1,4,13-18H2,2H3