5-(4-chlorophenyl)sulfonyl-3a,6a-dimethyl-3,6-dihydropentalene-1-carbonitrile

Systemtic Name: 5-(4-chlorophenyl)sulfonyl-3a,6a-dimethyl-3,6-dihydropentalene-1-carbonitrile Openeye Name: 5-(4-chlorophenyl)sulfonyl-3a,6a-dimethyl-3,6-dihydropentalene-1-carbonitrile CAS Name: 5-(4-chlorophenyl)sulfonyl-3a,6a-dimethyl-3,6-dihydropentalene-1-carbonitrile IUPAC Name: 5-(4-chlorophenyl)sulfonyl-3a,6a-dimethyl-3,6-dihydropentalene-1-carbonitrile Traditional Name: 5-(4-chlorophenyl)sulfonyl-3a,6a-dimethyl-3,6-dihydropentalene-1-carbonitrile Formula: C17H16ClNO2S MolecularWeight: 333.83244

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Descriptors Computed from Structure

Canonical SMILES:

CC12CC=C(C1(CC(=C2)S(=O)(=O)C3=CC=C(C=C3)Cl)C)C#N

Isomeric SMILES

CC12CC=C(C1(CC(=C2)S(=O)(=O)C3=CC=C(C=C3)Cl)C)C#N

InChI

InChI=1S/C17H16ClNO2S/c1-16-8-7-12(11-19)17(16,2)10-15(9-16)22(20,21)14-5-3-13(18)4-6-14/h3-7,9H,8,10H2,1-2H3