N,N-dimethyl-1,4-bis-(4-methylphenyl)sulfonyl-1,4-diazepan-6-amine

Systemtic Name: N,N-dimethyl-1,4-bis-(4-methylphenyl)sulfonyl-1,4-diazepan-6-amine Openeye Name: N,N-dimethyl-1,4-bis(p-tolylsulfonyl)-1,4-diazepan-6-amine CAS Name: N,N-dimethyl-1,4-bis-(4-methylphenyl)sulfonyl-1,4-diazepan-6-amine IUPAC Name: N,N-dimethyl-1,4-bis-(4-methylphenyl)sulfonyl-1,4-diazepan-6-amine Traditional Name: (1,4-ditosyl-1,4-diazepan-6-yl)-dimethyl-amine Formula: C21H29N3O4S2 MolecularWeight: 451.60266

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC(C2)N(C)C)S(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC(C2)N(C)C)S(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C21H29N3O4S2/c1-17-5-9-20(10-6-17)29(25,26)23-13-14-24(16-19(15-23)22(3)4)30(27,28)21-11-7-18(2)8-12-21/h5-12,19H,13-16H2,1-4H3