4-(3-methylphenoxy)-1-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]butan-1-one

Systemtic Name: 4-(3-methylphenoxy)-1-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]butan-1-one Openeye Name: 4-(3-methylphenoxy)-1-[4-(p-tolylsulfonyl)-1,4-diazepan-1-yl]butan-1-one CAS Name: 4-(3-methylphenoxy)-1-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-1-butanone IUPAC Name: 4-(3-methylphenoxy)-1-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]butan-1-one Traditional Name: 4-(3-methylphenoxy)-1-(4-tosyl-1,4-diazepan-1-yl)butan-1-one Formula: C23H30N2O4S MolecularWeight: 430.5603

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C(=O)CCCOC3=CC=CC(=C3)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C(=O)CCCOC3=CC=CC(=C3)C

InChI

InChI=1S/C23H30N2O4S/c1-19-9-11-22(12-10-19)30(27,28)25-14-5-13-24(15-16-25)23(26)8-4-17-29-21-7-3-6-20(2)18-21/h3,6-7,9-12,18H,4-5,8,13-17H2,1-2H3