5-methylidene-3,7-bis-(4-methylphenyl)sulfonyl-1-(phenylmethyl)-1,3,7-triazecane

Systemtic Name: 5-methylidene-3,7-bis-(4-methylphenyl)sulfonyl-1-(phenylmethyl)-1,3,7-triazecane Openeye Name: 1-benzyl-5-methylene-3,7-bis(p-tolylsulfonyl)-1,3,7-triazecane CAS Name: 5-methylene-3,7-bis-(4-methylphenyl)sulfonyl-1-(phenylmethyl)-1,3,7-triazecane IUPAC Name: 1-benzyl-5-methylidene-3,7-bis-(4-methylphenyl)sulfonyl-1,3,7-triazecane Traditional Name: 1-benzyl-5-methylene-3,7-ditosyl-1,3,7-triazecane Formula: C29H35N3O4S2 MolecularWeight: 553.7359

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CN(CC(=C)C2)S(=O)(=O)C3=CC=C(C=C3)C)CC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CN(CC(=C)C2)S(=O)(=O)C3=CC=C(C=C3)C)CC4=CC=CC=C4

InChI

InChI=1S/C29H35N3O4S2/c1-24-10-14-28(15-11-24)37(33,34)31-19-7-18-30(22-27-8-5-4-6-9-27)23-32(21-26(3)20-31)38(35,36)29-16-12-25(2)13-17-29/h4-6,8-17H,3,7,18-23H2,1-2H3