N-[2-chloranyl-4-[[4-(3-methylbut-2-enyl)-1,4-diazepan-1-yl]sulfonyl]phenyl]ethanamide

Systemtic Name: N-[2-chloranyl-4-[[4-(3-methylbut-2-enyl)-1,4-diazepan-1-yl]sulfonyl]phenyl]ethanamide Openeye Name: N-[2-chloro-4-[[4-(3-methylbut-2-enyl)-1,4-diazepan-1-yl]sulfonyl]phenyl]acetamide CAS Name: N-[2-chloro-4-[[4-(3-methylbut-2-enyl)-1,4-diazepan-1-yl]sulfonyl]phenyl]acetamide IUPAC Name: N-[2-chloro-4-[[4-(3-methylbut-2-enyl)-1,4-diazepan-1-yl]sulfonyl]phenyl]acetamide Traditional Name: N-[2-chloro-4-[[4-(3-methylbut-2-enyl)-1,4-diazepan-1-yl]sulfonyl]phenyl]acetamide Formula: C18H26ClN3O3S MolecularWeight: 399.93534

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCN1CCCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)NC(=O)C)Cl)C

Isomeric SMILES

CC(=CCN1CCCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)NC(=O)C)Cl)C

InChI

InChI=1S/C18H26ClN3O3S/c1-14(2)7-10-21-8-4-9-22(12-11-21)26(24,25)16-5-6-18(17(19)13-16)20-15(3)23/h5-7,13H,4,8-12H2,1-3H3,(H,20,23)