(E)-1-(4-methylsulfonyl-1,4-diazepan-1-yl)-3-(2-nitrophenyl)prop-2-en-1-one

Systemtic Name: (E)-1-(4-methylsulfonyl-1,4-diazepan-1-yl)-3-(2-nitrophenyl)prop-2-en-1-one Openeye Name: (E)-1-(4-methylsulfonyl-1,4-diazepan-1-yl)-3-(2-nitrophenyl)prop-2-en-1-one CAS Name: (E)-1-(4-methylsulfonyl-1,4-diazepan-1-yl)-3-(2-nitrophenyl)-2-propen-1-one IUPAC Name: (E)-1-(4-methylsulfonyl-1,4-diazepan-1-yl)-3-(2-nitrophenyl)prop-2-en-1-one Traditional Name: (E)-1-(4-mesyl-1,4-diazepan-1-yl)-3-(2-nitrophenyl)prop-2-en-1-one Formula: C15H19N3O5S MolecularWeight: 353.39346

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCCN(CC1)C(=O)C=CC2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)N1CCCN(CC1)C(=O)/C=C/C2=CC=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C15H19N3O5S/c1-24(22,23)17-10-4-9-16(11-12-17)15(19)8-7-13-5-2-3-6-14(13)18(20)21/h2-3,5-8H,4,9-12H2,1H3/b8-7+