4-[[4-(4-ethyl-3-morpholin-4-ylsulfonyl-phenyl)carbonyl-1,4-diazepan-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-(4-ethyl-3-morpholin-4-ylsulfonyl-phenyl)carbonyl-1,4-diazepan-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-(4-ethyl-3-morpholinosulfonyl-benzoyl)-1,4-diazepan-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[[4-ethyl-3-(4-morpholinylsulfonyl)phenyl]-oxomethyl]-1,4-diazepan-1-yl]methyl]benzonitrile IUPAC Name: 4-[[4-(4-ethyl-3-morpholin-4-ylsulfonylbenzoyl)-1,4-diazepan-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-(4-ethyl-3-morpholinosulfonyl-benzoyl)-1,4-diazepan-1-yl]methyl]benzonitrile Formula: C26H32N4O4S MolecularWeight: 496.62168

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(C=C1)C(=O)N2CCCN(CC2)CC3=CC=C(C=C3)C#N)S(=O)(=O)N4CCOCC4

Isomeric SMILES

CCC1=C(C=C(C=C1)C(=O)N2CCCN(CC2)CC3=CC=C(C=C3)C#N)S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C26H32N4O4S/c1-2-23-8-9-24(18-25(23)35(32,33)30-14-16-34-17-15-30)26(31)29-11-3-10-28(12-13-29)20-22-6-4-21(19-27)5-7-22/h4-9,18H,2-3,10-17,20H2,1H3