4-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-1,4-diazepan-1-yl]carbonyl]-N-prop-2-enyl-benzenesulfonamide

Systemtic Name: 4-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-1,4-diazepan-1-yl]carbonyl]-N-prop-2-enyl-benzenesulfonamide Openeye Name: N-allyl-4-[4-(3,5-dimethylisoxazol-4-yl)sulfonyl-1,4-diazepane-1-carbonyl]benzenesulfonamide CAS Name: 4-[[4-[(3,5-dimethyl-4-isoxazolyl)sulfonyl]-1,4-diazepan-1-yl]-oxomethyl]-N-prop-2-enylbenzenesulfonamide IUPAC Name: 4-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-1,4-diazepane-1-carbonyl]-N-prop-2-enylbenzenesulfonamide Traditional Name: N-allyl-4-[4-(3,5-dimethylisoxazol-4-yl)sulfonyl-1,4-diazepane-1-carbonyl]benzenesulfonamide Formula: C20H26N4O6S2 MolecularWeight: 482.57364

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)S(=O)(=O)N2CCCN(CC2)C(=O)C3=CC=C(C=C3)S(=O)(=O)NCC=C

Isomeric SMILES

CC1=C(C(=NO1)C)S(=O)(=O)N2CCCN(CC2)C(=O)C3=CC=C(C=C3)S(=O)(=O)NCC=C

InChI

InChI=1S/C20H26N4O6S2/c1-4-10-21-31(26,27)18-8-6-17(7-9-18)20(25)23-11-5-12-24(14-13-23)32(28,29)19-15(2)22-30-16(19)3/h4,6-9,21H,1,5,10-14H2,2-3H3