ethyl N-[4-[[4-(4-bromophenyl)sulfonyl-2-oxidanylidene-piperazin-1-yl]methyl]-1-pyridin-4-yl-piperidin-4-yl]carbamate

Systemtic Name: ethyl N-[4-[[4-(4-bromophenyl)sulfonyl-2-oxidanylidene-piperazin-1-yl]methyl]-1-pyridin-4-yl-piperidin-4-yl]carbamate Openeye Name: ethyl N-[4-[[4-(4-bromophenyl)sulfonyl-2-oxo-piperazin-1-yl]methyl]-1-(4-pyridyl)-4-piperidyl]carbamate CAS Name: N-[4-[[4-(4-bromophenyl)sulfonyl-2-oxo-1-piperazinyl]methyl]-1-pyridin-4-yl-4-piperidinyl]carbamic acid ethyl ester IUPAC Name: ethyl N-[4-[[4-(4-bromophenyl)sulfonyl-2-oxopiperazin-1-yl]methyl]-1-pyridin-4-ylpiperidin-4-yl]carbamate Traditional Name: N-[4-[(4-brosyl-2-keto-piperazino)methyl]-1-(4-pyridyl)-4-piperidyl]carbamic acid ethyl ester Formula: C24H30BrN5O5S MolecularWeight: 580.4945

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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=CC=C(C=C4)Br

Isomeric SMILES

CCOC(=O)NC1(CCN(CC1)C2=CC=NC=C2)CN3CCN(CC3=O)S(=O)(=O)C4=CC=C(C=C4)Br

InChI

InChI=1S/C24H30BrN5O5S/c1-2-35-23(32)27-24(9-13-28(14-10-24)20-7-11-26-12-8-20)18-29-15-16-30(17-22(29)31)36(33,34)21-5-3-19(25)4-6-21/h3-8,11-12H,2,9-10,13-18H2,1H3,(H,27,32)