(3E)-3-butylidene-4-methylidene-1-(4-methylphenyl)sulfonyl-2-propyl-azepane

Systemtic Name: (3E)-3-butylidene-4-methylidene-1-(4-methylphenyl)sulfonyl-2-propyl-azepane Openeye Name: (3E)-3-butylidene-4-methylene-2-propyl-1-(p-tolylsulfonyl)azepane CAS Name: (3E)-3-butylidene-4-methylene-1-(4-methylphenyl)sulfonyl-2-propylazepane IUPAC Name: (3E)-3-butylidene-4-methylidene-1-(4-methylphenyl)sulfonyl-2-propylazepane Traditional Name: (3E)-3-butylidene-4-methylene-2-propyl-1-tosyl-azepane Formula: C21H31NO2S MolecularWeight: 361.54134

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Descriptors Computed from Structure

Canonical SMILES:

CCCC=C1C(N(CCCC1=C)S(=O)(=O)C2=CC=C(C=C2)C)CCC

Isomeric SMILES

CCC/C=C\1/C(N(CCCC1=C)S(=O)(=O)C2=CC=C(C=C2)C)CCC

InChI

InChI=1S/C21H31NO2S/c1-5-7-11-20-18(4)10-8-16-22(21(20)9-6-2)25(23,24)19-14-12-17(3)13-15-19/h11-15,21H,4-10,16H2,1-3H3/b20-11+