(E)-1-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-3-(1-phenylpyrazol-4-yl)prop-2-en-1-one

Systemtic Name: (E)-1-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-3-(1-phenylpyrazol-4-yl)prop-2-en-1-one Openeye Name: (E)-3-(1-phenylpyrazol-4-yl)-1-[4-(p-tolylsulfonyl)-1,4-diazepan-1-yl]prop-2-en-1-one CAS Name: (E)-1-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-3-(1-phenyl-4-pyrazolyl)-2-propen-1-one IUPAC Name: (E)-1-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-3-(1-phenylpyrazol-4-yl)prop-2-en-1-one Traditional Name: (E)-3-(1-phenylpyrazol-4-yl)-1-(4-tosyl-1,4-diazepan-1-yl)prop-2-en-1-one Formula: C24H26N4O3S MolecularWeight: 450.55324

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C(=O)C=CC3=CN(N=C3)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C(=O)/C=C/C3=CN(N=C3)C4=CC=CC=C4

InChI

InChI=1S/C24H26N4O3S/c1-20-8-11-23(12-9-20)32(30,31)27-15-5-14-26(16-17-27)24(29)13-10-21-18-25-28(19-21)22-6-3-2-4-7-22/h2-4,6-13,18-19H,5,14-17H2,1H3/b13-10+