methyl N-[2-[3-[(7-bromanyl-2H-chromen-3-yl)sulfonyl]-2-oxidanylidene-piperazin-1-yl]-1-pyridin-4-yl-piperidin-4-yl]carbamate

Systemtic Name: methyl N-[2-[3-[(7-bromanyl-2H-chromen-3-yl)sulfonyl]-2-oxidanylidene-piperazin-1-yl]-1-pyridin-4-yl-piperidin-4-yl]carbamate Openeye Name: methyl N-[2-[3-[(7-bromo-2H-chromen-3-yl)sulfonyl]-2-oxo-piperazin-1-yl]-1-(4-pyridyl)-4-piperidyl]carbamate CAS Name: N-[2-[3-[(7-bromo-2H-1-benzopyran-3-yl)sulfonyl]-2-oxo-1-piperazinyl]-1-pyridin-4-yl-4-piperidinyl]carbamic acid methyl ester IUPAC Name: methyl N-[2-[3-[(7-bromo-2H-chromen-3-yl)sulfonyl]-2-oxopiperazin-1-yl]-1-pyridin-4-ylpiperidin-4-yl]carbamate Traditional Name: N-[2-[3-[(7-bromo-2H-chromen-3-yl)sulfonyl]-2-keto-piperazino]-1-(4-pyridyl)-4-piperidyl]carbamic acid methyl ester Formula: C25H28BrN5O6S MolecularWeight: 606.48872

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)NC1CCN(C(C1)N2CCNC(C2=O)S(=O)(=O)C3=CC4=C(C=C(C=C4)Br)OC3)C5=CC=NC=C5

Isomeric SMILES

COC(=O)NC1CCN(C(C1)N2CCNC(C2=O)S(=O)(=O)C3=CC4=C(C=C(C=C4)Br)OC3)C5=CC=NC=C5

InChI

InChI=1S/C25H28BrN5O6S/c1-36-25(33)29-18-6-10-30(19-4-7-27-8-5-19)22(14-18)31-11-9-28-23(24(31)32)38(34,35)20-12-16-2-3-17(26)13-21(16)37-15-20/h2-5,7-8,12-13,18,22-23,28H,6,9-11,14-15H2,1H3,(H,29,33)