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

Systemtic Name: 9-methylidene-1,7-bis-(4-methylphenyl)sulfonyl-4-(phenylmethyl)-1,4,7-triazecane Openeye Name: 4-benzyl-9-methylene-1,7-bis(p-tolylsulfonyl)-1,4,7-triazecane CAS Name: 9-methylene-1,7-bis-(4-methylphenyl)sulfonyl-4-(phenylmethyl)-1,4,7-triazecane IUPAC Name: 4-benzyl-9-methylidene-1,7-bis-(4-methylphenyl)sulfonyl-1,4,7-triazecane Traditional Name: 4-benzyl-9-methylene-1,7-ditosyl-1,4,7-triazecane Formula: C29H35N3O4S2 MolecularWeight: 553.7359

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CCN(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)N2CCN(CCN(CC(=C)C2)S(=O)(=O)C3=CC=C(C=C3)C)CC4=CC=CC=C4

InChI

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