(2E,5E)-3-(4-chlorophenyl)sulfonyl-1-(phenylmethyl)-1-azacyclotrideca-2,5-diene

Systemtic Name: (2E,5E)-3-(4-chlorophenyl)sulfonyl-1-(phenylmethyl)-1-azacyclotrideca-2,5-diene Openeye Name: (2E,5E)-1-benzyl-3-(4-chlorophenyl)sulfonyl-1-azacyclotrideca-2,5-diene CAS Name: (2E,5E)-3-(4-chlorophenyl)sulfonyl-1-(phenylmethyl)-1-azacyclotrideca-2,5-diene IUPAC Name: (2E,5E)-1-benzyl-3-(4-chlorophenyl)sulfonyl-1-azacyclotrideca-2,5-diene Traditional Name: (2E,5E)-1-benzyl-3-(4-chlorophenyl)sulfonyl-1-azacyclotrideca-2,5-diene Formula: C25H30ClNO2S MolecularWeight: 444.0292

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC=CCC(=CN(CCC1)CC2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

C1CCC/C=C/C/C(=C\N(CCC1)CC2=CC=CC=C2)/S(=O)(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C25H30ClNO2S/c26-23-15-17-24(18-16-23)30(28,29)25-14-10-5-3-1-2-4-6-11-19-27(21-25)20-22-12-8-7-9-13-22/h5,7-10,12-13,15-18,21H,1-4,6,11,14,19-20H2/b10-5+,25-21+