N-[4-[[4-(4-methylsulfonylphenyl)-1,4-diazepan-1-yl]sulfonyl]phenyl]ethanamide

Systemtic Name: N-[4-[[4-(4-methylsulfonylphenyl)-1,4-diazepan-1-yl]sulfonyl]phenyl]ethanamide Openeye Name: N-[4-[[4-(4-methylsulfonylphenyl)-1,4-diazepan-1-yl]sulfonyl]phenyl]acetamide CAS Name: N-[4-[[4-(4-methylsulfonylphenyl)-1,4-diazepan-1-yl]sulfonyl]phenyl]acetamide IUPAC Name: N-[4-[[4-(4-methylsulfonylphenyl)-1,4-diazepan-1-yl]sulfonyl]phenyl]acetamide Traditional Name: N-[4-[[4-(4-mesylphenyl)-1,4-diazepan-1-yl]sulfonyl]phenyl]acetamide Formula: C20H25N3O5S2 MolecularWeight: 451.5596

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C3=CC=C(C=C3)S(=O)(=O)C

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C3=CC=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C20H25N3O5S2/c1-16(24)21-17-4-8-20(9-5-17)30(27,28)23-13-3-12-22(14-15-23)18-6-10-19(11-7-18)29(2,25)26/h4-11H,3,12-15H2,1-2H3,(H,21,24)