1-(4-methylphenyl)sulfonyl-4-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)-1,4-diazepane

Systemtic Name: 1-(4-methylphenyl)sulfonyl-4-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)-1,4-diazepane Openeye Name: 1-(p-tolylsulfonyl)-4-(5-pyrrolidin-1-ylsulfonyl-2-pyridyl)-1,4-diazepane CAS Name: 1-(4-methylphenyl)sulfonyl-4-[5-(1-pyrrolidinylsulfonyl)-2-pyridinyl]-1,4-diazepane IUPAC Name: 1-(4-methylphenyl)sulfonyl-4-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)-1,4-diazepane Traditional Name: 1-(5-pyrrolidinosulfonyl-2-pyridyl)-4-tosyl-1,4-diazepane Formula: C21H28N4O4S2 MolecularWeight: 464.60142

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C3=NC=C(C=C3)S(=O)(=O)N4CCCC4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C3=NC=C(C=C3)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C21H28N4O4S2/c1-18-5-7-19(8-6-18)30(26,27)25-14-4-11-23(15-16-25)21-10-9-20(17-22-21)31(28,29)24-12-2-3-13-24/h5-10,17H,2-4,11-16H2,1H3