N-[4-[[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]methyl]-2-oxidanylidene-chromen-7-yl]ethanamide

Systemtic Name: N-[4-[[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]methyl]-2-oxidanylidene-chromen-7-yl]ethanamide Openeye Name: N-[2-oxo-4-[[4-(4-sec-butylphenyl)sulfonylpiperazin-1-yl]methyl]chromen-7-yl]acetamide CAS Name: N-[4-[[4-(4-butan-2-ylphenyl)sulfonyl-1-piperazinyl]methyl]-2-oxo-1-benzopyran-7-yl]acetamide IUPAC Name: N-[4-[[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]methyl]-2-oxochromen-7-yl]acetamide Traditional Name: N-[2-keto-4-[[4-(4-sec-butylphenyl)sulfonylpiperazino]methyl]chromen-7-yl]acetamide Formula: C26H31N3O5S MolecularWeight: 497.60644

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=CC(=O)OC4=C3C=CC(=C4)NC(=O)C

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=CC(=O)OC4=C3C=CC(=C4)NC(=O)C

InChI

InChI=1S/C26H31N3O5S/c1-4-18(2)20-5-8-23(9-6-20)35(32,33)29-13-11-28(12-14-29)17-21-15-26(31)34-25-16-22(27-19(3)30)7-10-24(21)25/h5-10,15-16,18H,4,11-14,17H2,1-3H3,(H,27,30)