methyl 2-[1-naphthalen-2-ylsulfonyl-4-(1-pyridin-4-ylpiperidin-4-yl)carbonyl-piperazin-2-yl]ethanoate

Systemtic Name: methyl 2-[1-naphthalen-2-ylsulfonyl-4-(1-pyridin-4-ylpiperidin-4-yl)carbonyl-piperazin-2-yl]ethanoate Openeye Name: methyl 2-[1-(2-naphthylsulfonyl)-4-[1-(4-pyridyl)piperidine-4-carbonyl]piperazin-2-yl]acetate CAS Name: 2-[1-(2-naphthalenylsulfonyl)-4-[oxo-(1-pyridin-4-yl-4-piperidinyl)methyl]-2-piperazinyl]acetic acid methyl ester IUPAC Name: methyl 2-[1-naphthalen-2-ylsulfonyl-4-(1-pyridin-4-ylpiperidine-4-carbonyl)piperazin-2-yl]acetate Traditional Name: 2-[1-(2-naphthylsulfonyl)-4-[1-(4-pyridyl)isonipecotoyl]piperazin-2-yl]acetic acid methyl ester Formula: C28H32N4O5S MolecularWeight: 536.64248

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1CN(CCN1S(=O)(=O)C2=CC3=CC=CC=C3C=C2)C(=O)C4CCN(CC4)C5=CC=NC=C5

Isomeric SMILES

COC(=O)CC1CN(CCN1S(=O)(=O)C2=CC3=CC=CC=C3C=C2)C(=O)C4CCN(CC4)C5=CC=NC=C5

InChI

InChI=1S/C28H32N4O5S/c1-37-27(33)19-25-20-31(28(34)22-10-14-30(15-11-22)24-8-12-29-13-9-24)16-17-32(25)38(35,36)26-7-6-21-4-2-3-5-23(21)18-26/h2-9,12-13,18,22,25H,10-11,14-17,19-20H2,1H3