(E)-1-[4-(4-methylsulfonylphenyl)-1,4-diazepan-1-yl]-3-phenyl-prop-2-en-1-one

Systemtic Name: (E)-1-[4-(4-methylsulfonylphenyl)-1,4-diazepan-1-yl]-3-phenyl-prop-2-en-1-one Openeye Name: (E)-1-[4-(4-methylsulfonylphenyl)-1,4-diazepan-1-yl]-3-phenyl-prop-2-en-1-one CAS Name: (E)-1-[4-(4-methylsulfonylphenyl)-1,4-diazepan-1-yl]-3-phenyl-2-propen-1-one IUPAC Name: (E)-1-[4-(4-methylsulfonylphenyl)-1,4-diazepan-1-yl]-3-phenylprop-2-en-1-one Traditional Name: (E)-1-[4-(4-mesylphenyl)-1,4-diazepan-1-yl]-3-phenyl-prop-2-en-1-one Formula: C21H24N2O3S MolecularWeight: 384.49186

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)N2CCCN(CC2)C(=O)C=CC3=CC=CC=C3

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)N2CCCN(CC2)C(=O)/C=C/C3=CC=CC=C3

InChI

InChI=1S/C21H24N2O3S/c1-27(25,26)20-11-9-19(10-12-20)22-14-5-15-23(17-16-22)21(24)13-8-18-6-3-2-4-7-18/h2-4,6-13H,5,14-17H2,1H3/b13-8+