(4-cyclohex-2-en-1-yloxyphenyl)-[4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]methanone

Systemtic Name: (4-cyclohex-2-en-1-yloxyphenyl)-[4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]methanone Openeye Name: (4-cyclohex-2-en-1-yloxyphenyl)-[4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]methanone CAS Name: [4-(1-cyclohex-2-enyloxy)phenyl]-[4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]methanone IUPAC Name: (4-cyclohex-2-en-1-yloxyphenyl)-[4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]methanone Traditional Name: (4-cyclohex-2-en-1-yloxyphenyl)-[4-(4-mesylbenzyl)-1,4-diazepan-1-yl]methanone Formula: C26H32N2O4S MolecularWeight: 468.60828

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)CN2CCCN(CC2)C(=O)C3=CC=C(C=C3)OC4CCCC=C4

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)CN2CCCN(CC2)C(=O)C3=CC=C(C=C3)OC4CCCC=C4

InChI

InChI=1S/C26H32N2O4S/c1-33(30,31)25-14-8-21(9-15-25)20-27-16-5-17-28(19-18-27)26(29)22-10-12-24(13-11-22)32-23-6-3-2-4-7-23/h3,6,8-15,23H,2,4-5,7,16-20H2,1H3