[4-[[4-[(7-chloranyl-2H-chromen-3-yl)sulfonyl]-2-oxidanylidene-piperazin-1-yl]methyl]-1-pyridin-4-yl-piperidin-4-yl] propanoate

Systemtic Name: [4-[[4-[(7-chloranyl-2H-chromen-3-yl)sulfonyl]-2-oxidanylidene-piperazin-1-yl]methyl]-1-pyridin-4-yl-piperidin-4-yl] propanoate Openeye Name: [4-[[4-[(7-chloro-2H-chromen-3-yl)sulfonyl]-2-oxo-piperazin-1-yl]methyl]-1-(4-pyridyl)-4-piperidyl] propanoate CAS Name: propanoic acid [4-[[4-[(7-chloro-2H-1-benzopyran-3-yl)sulfonyl]-2-oxo-1-piperazinyl]methyl]-1-pyridin-4-yl-4-piperidinyl] ester IUPAC Name: [4-[[4-[(7-chloro-2H-chromen-3-yl)sulfonyl]-2-oxopiperazin-1-yl]methyl]-1-pyridin-4-ylpiperidin-4-yl] propanoate Traditional Name: propionic acid [4-[[4-[(7-chloro-2H-chromen-3-yl)sulfonyl]-2-keto-piperazino]methyl]-1-(4-pyridyl)-4-piperidyl] ester Formula: C27H31ClN4O6S MolecularWeight: 575.07624

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)OC1(CCN(CC1)C2=CC=NC=C2)CN3CCN(CC3=O)S(=O)(=O)C4=CC5=C(C=C(C=C5)Cl)OC4

Isomeric SMILES

CCC(=O)OC1(CCN(CC1)C2=CC=NC=C2)CN3CCN(CC3=O)S(=O)(=O)C4=CC5=C(C=C(C=C5)Cl)OC4

InChI

InChI=1S/C27H31ClN4O6S/c1-2-26(34)38-27(7-11-30(12-8-27)22-5-9-29-10-6-22)19-31-13-14-32(17-25(31)33)39(35,36)23-15-20-3-4-21(28)16-24(20)37-18-23/h3-6,9-10,15-16H,2,7-8,11-14,17-19H2,1H3