ethyl 4-[3-[(5-bromanyl-2-methoxy-phenyl)methylcarbamoyl]piperidin-1-yl]sulfonylpiperazine-1-carboxylate

Systemtic Name: ethyl 4-[3-[(5-bromanyl-2-methoxy-phenyl)methylcarbamoyl]piperidin-1-yl]sulfonylpiperazine-1-carboxylate Openeye Name: ethyl 4-[[3-[(5-bromo-2-methoxy-phenyl)methylcarbamoyl]-1-piperidyl]sulfonyl]piperazine-1-carboxylate CAS Name: 4-[[3-[[(5-bromo-2-methoxyphenyl)methylamino]-oxomethyl]-1-piperidinyl]sulfonyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[3-[(5-bromo-2-methoxyphenyl)methylcarbamoyl]piperidin-1-yl]sulfonylpiperazine-1-carboxylate Traditional Name: 4-[3-[(5-bromo-2-methoxy-benzyl)carbamoyl]piperidino]sulfonylpiperazine-1-carboxylic acid ethyl ester Formula: C21H31BrN4O6S MolecularWeight: 547.46304

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)S(=O)(=O)N2CCCC(C2)C(=O)NCC3=C(C=CC(=C3)Br)OC

Isomeric SMILES

CCOC(=O)N1CCN(CC1)S(=O)(=O)N2CCCC(C2)C(=O)NCC3=C(C=CC(=C3)Br)OC

InChI

InChI=1S/C21H31BrN4O6S/c1-3-32-21(28)24-9-11-25(12-10-24)33(29,30)26-8-4-5-16(15-26)20(27)23-14-17-13-18(22)6-7-19(17)31-2/h6-7,13,16H,3-5,8-12,14-15H2,1-2H3,(H,23,27)