cyclopropyl-[4-[[2-(4-ethoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-3-yl]carbonyl]piperazin-1-yl]methanone

Systemtic Name: cyclopropyl-[4-[[2-(4-ethoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-3-yl]carbonyl]piperazin-1-yl]methanone Openeye Name: cyclopropyl-[4-[2-(4-ethoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carbonyl]piperazin-1-yl]methanone CAS Name: cyclopropyl-[4-[[2-(4-ethoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-3-yl]-oxomethyl]-1-piperazinyl]methanone IUPAC Name: cyclopropyl-[4-[2-(4-ethoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carbonyl]piperazin-1-yl]methanone Traditional Name: cyclopropyl-[4-(2-p-phenetylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carbonyl)piperazino]methanone Formula: C26H31N3O5S MolecularWeight: 497.60644

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)N4CCN(CC4)C(=O)C5CC5

Isomeric SMILES

CCOC1=CC=C(C=C1)S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)N4CCN(CC4)C(=O)C5CC5

InChI

InChI=1S/C26H31N3O5S/c1-2-34-22-9-11-23(12-10-22)35(32,33)29-18-21-6-4-3-5-20(21)17-24(29)26(31)28-15-13-27(14-16-28)25(30)19-7-8-19/h3-6,9-12,19,24H,2,7-8,13-18H2,1H3