(E)-3-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]-1-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]prop-2-en-1-one

Systemtic Name: (E)-3-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]-1-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]prop-2-en-1-one Openeye Name: (E)-3-[2,5-dimethyl-1-(5-methylisoxazol-3-yl)pyrrol-3-yl]-1-[4-(p-tolylsulfonyl)-1,4-diazepan-1-yl]prop-2-en-1-one CAS Name: (E)-3-[2,5-dimethyl-1-(5-methyl-3-isoxazolyl)-3-pyrrolyl]-1-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-2-propen-1-one IUPAC Name: (E)-3-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]-1-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]prop-2-en-1-one Traditional Name: (E)-3-[2,5-dimethyl-1-(5-methylisoxazol-3-yl)pyrrol-3-yl]-1-(4-tosyl-1,4-diazepan-1-yl)prop-2-en-1-one Formula: C25H30N4O4S MolecularWeight: 482.5951

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H30N4O4S/c1-18-6-9-23(10-7-18)34(31,32)28-13-5-12-27(14-15-28)25(30)11-8-22-16-19(2)29(21(22)4)24-17-20(3)33-26-24/h6-11,16-17H,5,12-15H2,1-4H3/b11-8+