(2-ethoxypyridin-3-yl)-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methanone

Systemtic Name: (2-ethoxypyridin-3-yl)-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methanone Openeye Name: (2-ethoxy-3-pyridyl)-[4-(p-tolylsulfonyl)-1,4-diazepan-1-yl]methanone CAS Name: (2-ethoxy-3-pyridinyl)-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methanone IUPAC Name: (2-ethoxypyridin-3-yl)-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methanone Traditional Name: (2-ethoxy-3-pyridyl)-(4-tosyl-1,4-diazepan-1-yl)methanone Formula: C20H25N3O4S MolecularWeight: 403.4952

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC=N1)C(=O)N2CCCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCOC1=C(C=CC=N1)C(=O)N2CCCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C20H25N3O4S/c1-3-27-19-18(6-4-11-21-19)20(24)22-12-5-13-23(15-14-22)28(25,26)17-9-7-16(2)8-10-17/h4,6-11H,3,5,12-15H2,1-2H3