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

Systemtic Name: ethyl N-[4-[[4-[(7-chloranyl-2H-chromen-3-yl)sulfonyl]-2-oxidanylidene-piperazin-1-yl]methyl]-1-pyridin-4-yl-piperidin-4-yl]carbamate Openeye Name: ethyl N-[4-[[4-[(7-chloro-2H-chromen-3-yl)sulfonyl]-2-oxo-piperazin-1-yl]methyl]-1-(4-pyridyl)-4-piperidyl]carbamate CAS Name: N-[4-[[4-[(7-chloro-2H-1-benzopyran-3-yl)sulfonyl]-2-oxo-1-piperazinyl]methyl]-1-pyridin-4-yl-4-piperidinyl]carbamic acid ethyl ester IUPAC Name: ethyl N-[4-[[4-[(7-chloro-2H-chromen-3-yl)sulfonyl]-2-oxopiperazin-1-yl]methyl]-1-pyridin-4-ylpiperidin-4-yl]carbamate Traditional Name: N-[4-[[4-[(7-chloro-2H-chromen-3-yl)sulfonyl]-2-keto-piperazino]methyl]-1-(4-pyridyl)-4-piperidyl]carbamic acid ethyl ester Formula: C27H32ClN5O6S MolecularWeight: 590.09088

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NC1(CCN(CC1)C2=CC=NC=C2)CN3CCN(CC3=O)S(=O)(=O)C4=CC5=C(C=C(C=C5)Cl)OC4

Isomeric SMILES

CCOC(=O)NC1(CCN(CC1)C2=CC=NC=C2)CN3CCN(CC3=O)S(=O)(=O)C4=CC5=C(C=C(C=C5)Cl)OC4

InChI

InChI=1S/C27H32ClN5O6S/c1-2-38-26(35)30-27(7-11-31(12-8-27)22-5-9-29-10-6-22)19-32-13-14-33(17-25(32)34)40(36,37)23-15-20-3-4-21(28)16-24(20)39-18-23/h3-6,9-10,15-16H,2,7-8,11-14,17-19H2,1H3,(H,30,35)