methyl 2-[4-[(5-chloranyl-1H-indol-2-yl)sulfonyl]-1-(4-pyridin-4-ylcyclohex-3-en-1-yl)carbonyl-piperazin-2-yl]ethanoate

Systemtic Name: methyl 2-[4-[(5-chloranyl-1H-indol-2-yl)sulfonyl]-1-(4-pyridin-4-ylcyclohex-3-en-1-yl)carbonyl-piperazin-2-yl]ethanoate Openeye Name: methyl 2-[4-[(5-chloro-1H-indol-2-yl)sulfonyl]-1-[4-(4-pyridyl)cyclohex-3-ene-1-carbonyl]piperazin-2-yl]acetate CAS Name: 2-[4-[(5-chloro-1H-indol-2-yl)sulfonyl]-1-[oxo-(4-pyridin-4-yl-1-cyclohex-3-enyl)methyl]-2-piperazinyl]acetic acid methyl ester IUPAC Name: methyl 2-[4-[(5-chloro-1H-indol-2-yl)sulfonyl]-1-(4-pyridin-4-ylcyclohex-3-ene-1-carbonyl)piperazin-2-yl]acetate Traditional Name: 2-[4-[(5-chloro-1H-indol-2-yl)sulfonyl]-1-[4-(4-pyridyl)cyclohex-3-ene-1-carbonyl]piperazin-2-yl]acetic acid methyl ester Formula: C27H29ClN4O5S MolecularWeight: 557.06096

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1CN(CCN1C(=O)C2CCC(=CC2)C3=CC=NC=C3)S(=O)(=O)C4=CC5=C(N4)C=CC(=C5)Cl

Isomeric SMILES

COC(=O)CC1CN(CCN1C(=O)C2CCC(=CC2)C3=CC=NC=C3)S(=O)(=O)C4=CC5=C(N4)C=CC(=C5)Cl

InChI

InChI=1S/C27H29ClN4O5S/c1-37-26(33)16-23-17-31(38(35,36)25-15-21-14-22(28)6-7-24(21)30-25)12-13-32(23)27(34)20-4-2-18(3-5-20)19-8-10-29-11-9-19/h2,6-11,14-15,20,23,30H,3-5,12-13,16-17H2,1H3