1-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-3-phenyl-propan-1-one

Systemtic Name: 1-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-3-phenyl-propan-1-one Openeye Name: 3-phenyl-1-[4-(p-tolylsulfonyl)-1,4-diazepan-1-yl]propan-1-one CAS Name: 1-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-3-phenyl-1-propanone IUPAC Name: 1-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-3-phenylpropan-1-one Traditional Name: 3-phenyl-1-(4-tosyl-1,4-diazepan-1-yl)propan-1-one Formula: C21H26N2O3S MolecularWeight: 386.50774

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C(=O)CCC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C(=O)CCC3=CC=CC=C3

InChI

InChI=1S/C21H26N2O3S/c1-18-8-11-20(12-9-18)27(25,26)23-15-5-14-22(16-17-23)21(24)13-10-19-6-3-2-4-7-19/h2-4,6-9,11-12H,5,10,13-17H2,1H3