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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NC1(CCNCC1)C(C2=CC=NC=C2)N3CCN(CC3=O)S(=O)(=O)C4=CC=C(C=C4)Br

Isomeric SMILES

CCOC(=O)NC1(CCNCC1)C(C2=CC=NC=C2)N3CCN(CC3=O)S(=O)(=O)C4=CC=C(C=C4)Br

InChI

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