[4-[[4-(6-chloranylnaphthalen-2-yl)sulfonyl-2-oxidanylidene-piperazin-1-yl]methyl]-1-pyridin-4-yl-piperidin-4-yl] ethanoate

Systemtic Name: [4-[[4-(6-chloranylnaphthalen-2-yl)sulfonyl-2-oxidanylidene-piperazin-1-yl]methyl]-1-pyridin-4-yl-piperidin-4-yl] ethanoate Openeye Name: [4-[[4-[(6-chloro-2-naphthyl)sulfonyl]-2-oxo-piperazin-1-yl]methyl]-1-(4-pyridyl)-4-piperidyl] acetate CAS Name: acetic acid [4-[[4-[(6-chloro-2-naphthalenyl)sulfonyl]-2-oxo-1-piperazinyl]methyl]-1-pyridin-4-yl-4-piperidinyl] ester IUPAC Name: [4-[[4-(6-chloronaphthalen-2-yl)sulfonyl-2-oxopiperazin-1-yl]methyl]-1-pyridin-4-ylpiperidin-4-yl] acetate Traditional Name: acetic acid [4-[[4-[(6-chloro-2-naphthyl)sulfonyl]-2-keto-piperazino]methyl]-1-(4-pyridyl)-4-piperidyl] ester Formula: C27H29ClN4O5S MolecularWeight: 557.06096

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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