3-[4-[1-[2-(4-methylphenyl)sulfonylethyl]imidazol-2-yl]piperidin-1-yl]carbonylchromen-2-one

Systemtic Name: 3-[4-[1-[2-(4-methylphenyl)sulfonylethyl]imidazol-2-yl]piperidin-1-yl]carbonylchromen-2-one Openeye Name: 3-[4-[1-[2-(p-tolylsulfonyl)ethyl]imidazol-2-yl]piperidine-1-carbonyl]chromen-2-one CAS Name: 3-[[4-[1-[2-(4-methylphenyl)sulfonylethyl]-2-imidazolyl]-1-piperidinyl]-oxomethyl]-1-benzopyran-2-one IUPAC Name: 3-[4-[1-[2-(4-methylphenyl)sulfonylethyl]imidazol-2-yl]piperidine-1-carbonyl]chromen-2-one Traditional Name: 3-[4-[1-(2-tosylethyl)imidazol-2-yl]piperidine-1-carbonyl]coumarin Formula: C27H27N3O5S MolecularWeight: 505.58538

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CCN2C=CN=C2C3CCN(CC3)C(=O)C4=CC5=CC=CC=C5OC4=O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CCN2C=CN=C2C3CCN(CC3)C(=O)C4=CC5=CC=CC=C5OC4=O

InChI

InChI=1S/C27H27N3O5S/c1-19-6-8-22(9-7-19)36(33,34)17-16-29-15-12-28-25(29)20-10-13-30(14-11-20)26(31)23-18-21-4-2-3-5-24(21)35-27(23)32/h2-9,12,15,18,20H,10-11,13-14,16-17H2,1H3