1,12-bis-(4-methylphenyl)sulfonyl-1,12-diazacyclodocosa-6,17-diyne

Systemtic Name: 1,12-bis-(4-methylphenyl)sulfonyl-1,12-diazacyclodocosa-6,17-diyne Openeye Name: 1,12-bis(p-tolylsulfonyl)-1,12-diazacyclodocosa-6,17-diyne CAS Name: 1,12-bis-(4-methylphenyl)sulfonyl-1,12-diazacyclodocosa-6,17-diyne IUPAC Name: 1,12-bis-(4-methylphenyl)sulfonyl-1,12-diazacyclodocosa-6,17-diyne Traditional Name: 1,12-ditosyl-1,12-diazacyclodocosa-6,17-diyne Formula: C34H46N2O4S2 MolecularWeight: 610.87004

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCCC#CCCCCN(CCCCC#CCCCC2)S(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCCC#CCCCCN(CCCCC#CCCCC2)S(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C34H46N2O4S2/c1-31-19-23-33(24-20-31)41(37,38)35-27-15-11-7-3-5-9-13-17-29-36(30-18-14-10-6-4-8-12-16-28-35)42(39,40)34-25-21-32(2)22-26-34/h19-26H,7-18,27-30H2,1-2H3