methyl N-[2-[3-(6-bromanylnaphthalen-2-yl)sulfonyl-2-oxidanylidene-piperazin-1-yl]-1-pyridin-4-yl-piperidin-4-yl]carbamate hydrochloride

Systemtic Name: methyl N-[2-[3-(6-bromanylnaphthalen-2-yl)sulfonyl-2-oxidanylidene-piperazin-1-yl]-1-pyridin-4-yl-piperidin-4-yl]carbamate hydrochloride Openeye Name: methyl N-[2-[3-[(6-bromo-2-naphthyl)sulfonyl]-2-oxo-piperazin-1-yl]-1-(4-pyridyl)-4-piperidyl]carbamate hydrochloride CAS Name: N-[2-[3-[(6-bromo-2-naphthalenyl)sulfonyl]-2-oxo-1-piperazinyl]-1-pyridin-4-yl-4-piperidinyl]carbamic acid methyl ester hydrochloride IUPAC Name: methyl N-[2-[3-(6-bromonaphthalen-2-yl)sulfonyl-2-oxopiperazin-1-yl]-1-pyridin-4-ylpiperidin-4-yl]carbamate hydrochloride Traditional Name: N-[2-[3-[(6-bromo-2-naphthyl)sulfonyl]-2-keto-piperazino]-1-(4-pyridyl)-4-piperidyl]carbamic acid methyl ester hydrochloride Formula: C26H29BrClN5O5S MolecularWeight: 638.96096

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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=C3)C=C(C=C4)Br)C5=CC=NC=C5.Cl

Isomeric SMILES

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

InChI

InChI=1S/C26H28BrN5O5S.ClH/c1-37-26(34)30-20-8-12-31(21-6-9-28-10-7-21)23(16-20)32-13-11-29-24(25(32)33)38(35,36)22-5-3-17-14-19(27)4-2-18(17)15-22;/h2-7,9-10,14-15,20,23-24,29H,8,11-13,16H2,1H3,(H,30,34);1H